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\n  \n 2024\n \n \n (5)\n \n \n
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\n \n\n \n \n \n \n Heteroanionic stabilization of ${\\mathrm{Ni}}^{1+}$ with nonplanar coordination in layered nickelates.\n \n \n\n\n \n Harada, J. K.; Charles, N.; Koocher, N. Z.; Wang, Y.; Kamp, K. R.; Baxter, M. R.; Poeppelmeier, K. R.; Puggioni, D.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review Materials, 8: 024803. Feb 2024.\n \n\n\n\n
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@article{Harada_2024,\n  title = {Heteroanionic stabilization of ${\\mathrm{Ni}}^{1+}$ with nonplanar coordination in layered nickelates},\n  author = {Harada, Jaye K. and Charles, Nenian and Koocher, Nathan Z. and Wang, Yiran and Kamp, Kendall R. and Baxter, Makayla R. and Poeppelmeier, Kenneth R. and Puggioni, Danilo and Rondinelli, James M.},\n  journal = {Physical Review Materials},\n  volume = {8},\n  issue = {2},\n  pages = {024803},\n  numpages = {8},\n  year = {2024},\n  month = {Feb},\n  publisher = {American Physical Society},\n  doi = {10.1103/PhysRevMaterials.8.024803},\n  url = {https://link.aps.org/doi/10.1103/PhysRevMaterials.8.024803}\n}\n\n\n%257\n
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\n \n\n \n \n \n \n Metal Methanesulfonates with Mixed Anionic Groups with Large Band Gaps and Enhanced Birefringence.\n \n \n\n\n \n Liang, M.; Zhang, Y.; Izvarin, E.; Waters, M. J.; Rondinelli, J. M.; and Halasyamani, P. S.\n\n\n \n\n\n\n Chemistry of Materials. February 2024.\n \n\n\n\n
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@article{Liang_2024,\n author = {Liang, Mingli and Zhang, Yujie and Izvarin, Eugene and Waters, Michael J. and Rondinelli, James M. and Halasyamani, P. Shiv},\n doi = {10.1021/acs.chemmater.3c03278},\n issn = {1520-5002},\n journal = {Chemistry of Materials},\n month = {February},\n volume = {},\n pages = {},\n publisher = {American Chemical Society (ACS)},\n title = {Metal Methanesulfonates with Mixed Anionic Groups with Large Band Gaps and Enhanced Birefringence},\n url = {http://dx.doi.org/10.1021/acs.chemmater.3c03278},\n year = {2024}\n}\n\n%256\n
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\n \n\n \n \n \n \n Metallicity and chemical bonding in anti-anatase Mo$_2$N.\n \n \n\n\n \n Walters, L. N.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Chemistry Chemical Physics. 2024.\n \n\n\n\n
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@article{Walters_2024,\n author = {Walters, Lauren N. and Rondinelli, James M.},\n doi = {10.1039/d3cp05054h},\n issn = {1463-9084},\n journal = {Physical Chemistry Chemical Physics},\n publisher = {Royal Society of Chemistry (RSC)},\n title = {Metallicity and chemical bonding in anti-anatase Mo$_2$N},\n volume = {},\n pages = {},\n url = {http://dx.doi.org/10.1039/D3CP05054H},\n year = {2024}\n}\n\n\n%255\n
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\n \n\n \n \n \n \n Oxidation resistance of Al-containing refractory high-entropy alloys.\n \n \n\n\n \n Anber, E. A.; Beaudry, D.; Brandenburg, C.; Lech, S.; Backman, L.; Foley, D. L.; Wang, E. L.; Waters, M. J.; Perriere, L.; Couzinie, J. P.; Rondinelli, J. M.; Opila, E.; and Taheri, M. L.\n\n\n \n\n\n\n Scripta Materialia, 244: 115997. 2024.\n \n\n\n\n
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@article{Anber_2024,\ntitle = {{Oxidation resistance of Al-containing refractory high-entropy alloys}},\njournal = {Scripta Materialia},\nvolume = {244},\npages = {115997},\nyear = {2024},\nissn = {1359-6462},\ndoi = {doi.org/10.1016/j.scriptamat.2024.115997},\nurl = {https://doi.org/10.1016/j.scriptamat.2024.115997},\nauthor = {Elaf A. Anber and David Beaudry and Charlie Brandenburg and Sebastian Lech and Lavina Backman and Daniel L. Foley and Emily L. Wang and Michael Joseph Waters and Loic Perriere and Jean- Philippe Couzinie and James M. Rondinelli and Elizabeth Opila and Mitra L. Taheri},\n}\n\n%254\n
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\n \n\n \n \n \n \n Thermal multiferroics in all-inorganic quasi-two-dimensional halide perovskites.\n \n \n\n\n \n Zhu, T.; Lu, X.; Aoyama, T.; Fujita, K.; Nambu, Y.; Saito, T.; Takatsu, H.; Kawasaki, T.; Terauchi, T.; Kurosawa, S.; Yamaji, A.; Li, H.; Tassel, C.; Ohgushi, K.; Rondinelli, J. M.; and Kageyama, H.\n\n\n \n\n\n\n Nature Materials, 23(2): 182-188. January 2024.\n \n\n\n\n
\n\n\n\n \n \n \"ThermalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n  \n \n 1 download\n \n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Zhu_2024,\n author = {Zhu, Tong and Lu, Xue-Zeng and Aoyama, Takuya and Fujita, Koji and Nambu, Yusuke and Saito, Takashi and Takatsu, Hiroshi and Kawasaki, Tatsushi and Terauchi, Takumi and Kurosawa, Shunsuke and Yamaji, Akihiro and Li, Hao-Bo and Tassel, Cédric and Ohgushi, Kenya and Rondinelli, James M. and Kageyama, Hiroshi},\n doi = {10.1038/s41563-023-01759-y},\n issn = {1476-4660},\n journal = {Nature Materials},\n month = {January},\n number = {2},\n pages = {182-188},\n publisher = {Springer Science and Business Media LLC},\n title = {Thermal multiferroics in all-inorganic quasi-two-dimensional halide perovskites},\n url = {http://dx.doi.org/10.1038/s41563-023-01759-y},\n volume = {23},\n year = {2024}\n}\n\n%253\n
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\n \n\n \n \n \n \n Transforming a strain-stabilized ferroelectric into an intrinsic polar metal with light.\n \n \n\n\n \n Ron, A.; Ahadi, K.; Hickox-Young, D.; Puggioni, D.; Mehio, O.; Rondinelli, J. M.; Stemmer, S.; and Hsieh, D.\n\n\n \n\n\n\n Physical Review B, 108: 224308. Dec 2023.\n \n\n\n\n
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@article{Ron_2023,\n  title = {Transforming a strain-stabilized ferroelectric into an intrinsic polar metal with light},\n  author = {Ron, Alon and Ahadi, Kaveh and Hickox-Young, Daniel and Puggioni, Danilo and Mehio, Omar and Rondinelli, James M. and Stemmer, Susanne and Hsieh, David},\n  journal = {Physical Review B},\n  volume = {108},\n  issue = {22},\n  pages = {224308},\n  numpages = {6},\n  year = {2023},\n  month = {Dec},\n  publisher = {American Physical Society},\n  doi = {10.1103/PhysRevB.108.224308},\n  url = {https://link.aps.org/doi/10.1103/PhysRevB.108.224308}\n}\n\n%252\n
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\n \n\n \n \n \n \n Elemental partitioning and corrosion resistance of Ni–Cr alloys revealed by accurate ab-initio thermodynamic and electrochemical calculations.\n \n \n\n\n \n Huang, L.; Xie, Y.; Sieradzki, K.; and Rondinelli, J. M.\n\n\n \n\n\n\n npj Materials Degradation, 7(1): 94. December 2023.\n \n\n\n\n
\n\n\n\n \n \n \"ElementalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Huang_2023,\n  title = {{Elemental partitioning and corrosion resistance of Ni--Cr alloys revealed by accurate ab-initio thermodynamic and electrochemical calculations}},\n  volume = {7},\n  ISSN = {2397-2106},\n  url = {http://dx.doi.org/10.1038/s41529-023-00414-w},\n  DOI = {10.1038/s41529-023-00414-w},\n  number = {1},\n  pages = {94},\n  journal = {npj Materials Degradation},\n  publisher = {Springer Science and Business Media LLC},\n  author = {Huang,  Liang-Feng and Xie,  Yusi and Sieradzki,  Karl and Rondinelli,  James M.},\n  year = {2023},\n  month = dec \n}\n\n%251\n
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\n \n\n \n \n \n \n Out-of-plane ferroelectricity and robust magnetoelectricity in quasi-two-dimensional materials.\n \n \n\n\n \n Lu, X.; Zhang, H.; Zhou, Y.; Zhu, T.; Xiang, H.; Dong, S.; Kageyama, H.; and Rondinelli, J. M.\n\n\n \n\n\n\n Science Advances, 9(47): eadi0138. 2023.\n \n\n\n\n
\n\n\n\n \n \n \"Out-of-planePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n  \n \n 2 downloads\n \n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Lu_2023b,\nauthor = {Xue-Zeng Lu  and Hui-Min Zhang  and Ying Zhou  and Tong Zhu  and Hongjun Xiang  and Shuai Dong  and Hiroshi Kageyama  and James M. Rondinelli},\ntitle = {Out-of-plane ferroelectricity and robust magnetoelectricity in quasi-two-dimensional materials},\njournal = {Science Advances},\nvolume = {9},\nnumber = {47},\npages = {eadi0138},\nyear = {2023},\ndoi = {10.1126/sciadv.adi0138},\nURL = {https://www.science.org/doi/abs/10.1126/sciadv.adi0138},\n}\n\n%250\n
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\n \n\n \n \n \n \n Understanding and leveraging short-range order in compositionally complex alloys.\n \n \n\n\n \n Taheri, M. L.; Anber, E.; Barnett, A.; Billinge, S.; Birbilis, N.; DeCost, B.; Foley, D. L.; Holcombe, E.; Hollenbach, J.; Joress, H.; Leigh, G.; Rakita, Y.; Rondinelli, J. M.; Smith, N.; Waters, M. J.; and Wolverton, C.\n\n\n \n\n\n\n MRS Bulletin, 48: 1280-1291. Nov 2023.\n \n\n\n\n
\n\n\n\n \n \n \"UnderstandingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n  \n \n 1 download\n \n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Taheri_2023,\n  title = {Understanding and leveraging short-range order in compositionally complex alloys},\n  url = {http://dx.doi.org/10.1557/s43577-023-00591-8},\n  DOI = {10.1557/s43577-023-00591-8},\n  journal = {MRS Bulletin},\n  author = {Taheri,  Mitra L. and Anber,  Elaf and Barnett,  Annie and Billinge,  Simon and Birbilis,  Nick and DeCost,  Brian and Foley,  Daniel L. and Holcombe,  Emily and Hollenbach,  Jonathan and Joress,  Howie and Leigh,  Georgia and Rakita,  Yevgeny and Rondinelli,  James M. and Smith,  Nathan and Waters,  Michael J. and Wolverton,  Chris},\n  year = {2023},\n  month = {Nov},\n  volume = {48},\n  pages = {1280-1291}\n}\n\n%249\n
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\n \n\n \n \n \n \n Quantum sensing of magnetic fields with molecular color centers.\n \n \n\n\n \n Mullin, K. R.; Laorenza, D. W.; Freedman, D. E.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review Research, 5: L042023. Nov 2023.\n \n\n\n\n
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@article{Mullin_2023,\n  title = {Quantum sensing of magnetic fields with molecular color centers},\n  author = {Mullin, Kathleen R. and Laorenza, Daniel W. and Freedman, Danna E. and Rondinelli, James M.},\n  journal = {Physical Review Research},\n  volume = {5},\n  issue = {4},\n  pages = {L042023},\n  numpages = {9},\n  year = {2023},\n  month = {Nov},\n  publisher = {American Physical Society},\n  doi = {10.1103/PhysRevResearch.5.L042023},\n  url = {https://link.aps.org/doi/10.1103/PhysRevResearch.5.L042023}\n}\n\n%248\n
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\n \n\n \n \n \n \n Canted antiferromagnetism in polar MnSiN$_2$ with high Néel temperature.\n \n \n\n\n \n Kautzsch, L.; Georgescu, A. B.; Puggioni, D.; Kent, G.; Taddei, K. M.; Reilly, A.; Seshadri, R.; Rondinelli, J. M.; and Wilson, S. D.\n\n\n \n\n\n\n Physical Review Materials, 7: 104406. Oct 2023.\n \n\n\n\n
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@article{Kautzsch_2023,\n  title = {{Canted antiferromagnetism in polar MnSiN$_2$ with high N\\'eel temperature}},\n  author = {Kautzsch, Linus and Georgescu, Alexandru B. and Puggioni, Danilo and Kent, Greggory and Taddei, Keith M. and Reilly, Aiden and Seshadri, Ram and Rondinelli, James M. and Wilson, Stephen D.},\n  journal = {Physical Review Materials},\n  volume = {7},\n  issue = {10},\n  pages = {104406},\n  numpages = {9},\n  year = {2023},\n  month = {Oct},\n  publisher = {American Physical Society},\n  doi = {10.1103/PhysRevMaterials.7.104406},\n  url = {https://link.aps.org/doi/10.1103/PhysRevMaterials.7.104406}\n}\n\n\n%247\n
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\n \n\n \n \n \n \n Rb$_2$Sn$_4Q_9$ ($Q = \\textrm{S and Se})$: Low-Dimensional Noncentrosymmetric Chalcogenides with High Laser-Induced Damage Threshold.\n \n \n\n\n \n Iyer, A. K.; Ha, S. H.; Waters, M. J.; Ie, T. S.; Shin, S. H.; Rondinelli, J. M.; Jang, J. I.; and Kanatzidis, M. G.\n\n\n \n\n\n\n Chemistry of Materials, 35(20): 8706-8713. oct 2023.\n \n\n\n\n
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@article{Iyer_2023,\n\tdoi = {10.1021/acs.chemmater.3c01962},\n\turl = {https://doi.org/10.1021/acs.chemmater.3c01962},\n\tyear = 2023,\n\tmonth = {oct},\n\tpublisher = {American Chemical Society ({ACS})},\n\tauthor = {Abishek K. Iyer and Seung Heon Ha and Michael J. Waters and Thomas S. Ie and Seung Han Shin and James M. Rondinelli and J. I. Jang and Mercouri G. Kanatzidis},\n\ttitle = {{Rb$_2$Sn$_4Q_9$ ($Q = \\textrm{S and Se})$: Low-Dimensional Noncentrosymmetric Chalcogenides with High Laser-Induced Damage Threshold}},\n\tjournal = {Chemistry of Materials},\n\tvolume = {35},\n\tnumber = {20},\n\tpages = {8706-8713}\n}\n\n%246\n
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\n \n\n \n \n \n \n Testing the limits of the global instability index.\n \n \n\n\n \n Miller, K. D.; and Rondinelli, J. M.\n\n\n \n\n\n\n APL Materials, 11(10): 101108. oct 2023.\n \n\n\n\n
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@article{Miller_2023,\n        doi = {10.1063/5.0140480},\n        url = {https://doi.org/10.1063/5.0140480},\n        year = 2023,\n        month = {oct},\n        publisher = {{AIP} Publishing},\n        volume = {11},\n        number = {10},\n        pages = {101108},\n        author = {Kyle D. Miller and James M. Rondinelli},\n        title = {Testing the limits of the global instability index},\n        journal = {{APL} Materials}\n}\n\n%245\n
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\n \n\n \n \n \n \n Structure, Second-, and Third-Harmonic Generation of Li$_4$P$_2$S$_6$: A Wide Gap Material with a High Laser-Induced Damage Threshold.\n \n \n\n\n \n Oxley, B. M.; Lee, K.; Ie, T. S.; Lee, J. M.; Waters, M. J.; Rondinelli, J. M.; Jang, J. I.; and Kanatzidis, M. G.\n\n\n \n\n\n\n Chemistry of Materials, 35(17): 7322-7332. 2023.\n \n\n\n\n
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@article{Oxley_2023,\n\tauthor = {Oxley, Benjamin M. and Lee, Kyeong-Hyeon and Ie, Thomas S. and Lee, Jae Mo and Waters, Michael J. and Rondinelli, James M. and Jang, Joon I. and Kanatzidis, Mercouri G.},\n\ttitle = {{Structure, Second-, and Third-Harmonic Generation of Li$_4$P$_2$S$_6$: A Wide Gap Material with a High Laser-Induced Damage Threshold}},\n\tjournal = {Chemistry of Materials},\n\tvolume = {35},\n\tnumber = {17},\n\tpages = {7322-7332},\n\tyear = {2023},\n\tdoi = {10.1021/acs.chemmater.3c01783},\n\turl = {https://doi.org/10.1021/acs.chemmater.3c01783},\n}\n\n%244\n
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\n \n\n \n \n \n \n Phase Discovery and Selected Synthesis of Subvalent Niobium Tellurides Using a Polytelluride Flux Strategy.\n \n \n\n\n \n Sun, F.; Yue, H.; Puggioni, D.; Guo, Z.; Li, Y.; Rondinelli, J. M.; Zhang, Z.; Yuan, W.; and Kanatzidis, M. G.\n\n\n \n\n\n\n Inorganic Chemistry, 62(31): 12413-12422. jul 2023.\n \n\n\n\n
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@article{Sun_2023,\n\tdoi = {10.1021/acs.inorgchem.3c01621},\n\turl = {https://doi.org/10.1021/acs.inorgchem.3c01621},\n\tyear = 2023,\n\tmonth = {jul},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {62},\n\tnumber = {31},\n\tpages = {12413-12422},\n\tauthor = {Fan Sun and Haoyu Yue and Danilo Puggioni and Zhongnan Guo and Yutong Li and James M. Rondinelli and Zheng Zhang and Wenxia Yuan and Mercouri G. Kanatzidis},\n\ttitle = {Phase Discovery and Selected Synthesis of Subvalent Niobium Tellurides Using a Polytelluride Flux Strategy},\n\tjournal = {Inorganic Chemistry}\n}\n\n%243\n
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\n \n\n \n \n \n \n Effect of Octahedral Connectivity on the Negative Thermal Expansion of SrZrS$_3$.\n \n \n\n\n \n Koocher, N. Z.; and Rondinelli, J. M.\n\n\n \n\n\n\n Inorganic Chemistry, 62(28): 11134-11141. jul 2023.\n \n\n\n\n
\n\n\n\n \n \n \"EffectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n  \n \n 1 download\n \n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Koocher_2023,\n\tdoi = {10.1021/acs.inorgchem.3c01232},\n\turl = {https://doi.org/10.1021/acs.inorgchem.3c01232},\n\tyear = 2023,\n\tmonth = {jul},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {62},\n\tnumber = {28},\n\tpages = {11134-11141},\n\tauthor = {Nathan Z. Koocher and James M. Rondinelli},\n\ttitle = {Effect of Octahedral Connectivity on the Negative Thermal Expansion of {SrZrS}$_3$},\n\tjournal = {Inorganic Chemistry}\n}\n\n%242\n
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\n \n\n \n \n \n \n Solution Combustion Synthesis and Characterization of Magnesium Copper Vanadates.\n \n \n\n\n \n Rawat, A.; Clark, L.; Zhang, C.; Cavin, J.; Sangwan, V. K.; Toth, P. S.; Janáky, C.; Ananth, R.; Goldfine, E.; Bedzyk, M. J.; Weiss, E. A.; Rondinelli, J. M.; Hersam, M. C.; Meletis, E. I.; and Rajeshwar, K.\n\n\n \n\n\n\n Inorganic Chemistry, 62(23): 8903–8913. jun 2023.\n \n\n\n\n
\n\n\n\n \n \n \"SolutionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n  \n \n 1 download\n \n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Rawat_2023,\n\tdoi = {10.1021/acs.inorgchem.3c00452},\n\turl = {https://doi.org/10.1021/acs.inorgchem.3c00452},\n\tyear = 2023,\n\tmonth = {jun},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {62},\n\tnumber = {23},\n\tpages = {8903--8913},\n\tauthor = {Abhishek Rawat and Laura Clark and Chuzhong Zhang and John Cavin and Vinod K. Sangwan and Peter S. Toth and Csaba Jan{\\'{a}}ky and Riddhi Ananth and Elise Goldfine and Michael J. Bedzyk and Emily A. Weiss and James M. Rondinelli and Mark C. Hersam and Efstathios I. Meletis and Krishnan Rajeshwar},\n\ttitle = {Solution Combustion Synthesis and Characterization of Magnesium Copper Vanadates},\n\tjournal = {Inorganic Chemistry}\n}\n\n%241\n
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\n \n\n \n \n \n \n The Crystal Structure of BaZn$_2$Se$_2$(OH)$_2$ Featuring Brownmillerite-Type Layers.\n \n \n\n\n \n Zhang, C.; Wang, Y.; Kamp, K. R.; Walters, L. N.; Ding, F.; Rondinelli, J. M.; and Poeppelmeier, K. R.\n\n\n \n\n\n\n Zeitschrift für anorganische und allgemeine Chemie, 649(14): e202300072. jun 2023.\n \n\n\n\n
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@article{Zhang_2023b,\n\tdoi = {10.1002/zaac.202300072},\n\turl = {https://doi.org/10.1002/zaac.202300072},\n\tyear = 2023,\n\tmonth = {jun},\n\tpublisher = {Wiley},\n\tvolume = {649},\n\tnumber = {14},\n\tauthor = {Chi Zhang and Yiran Wang and Kendall R. Kamp and Lauren N. Walters and Fenghua Ding and James M. Rondinelli and Kenneth R. Poeppelmeier},\n\ttitle = {{The Crystal Structure of BaZn$_2$Se$_2$(OH)$_2$ Featuring Brownmillerite-Type Layers}},\n\tjournal = {Zeitschrift für anorganische und allgemeine Chemie},\n\tpages = {e202300072}\n}\n\n%240\n
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\n \n\n \n \n \n \n ET-AL: Entropy-targeted active learning for bias mitigation in materials data.\n \n \n\n\n \n Zhang, H.; Chen, W.; Rondinelli, J. M.; and Chen, W.\n\n\n \n\n\n\n Applied Physics Reviews, 10(2): 021403. apr 2023.\n \n\n\n\n
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@article{Zhang_2023a,\n\tdoi = {10.1063/5.0138913},\n\turl = {https://doi.org/10.1063/5.0138913},\n\tyear = 2023,\n\tmonth = {apr},\n\tpublisher = {{AIP} Publishing},\n\tvolume = {10},\n\tnumber = {2},\n\tpages = {021403},\n\tauthor = {Zhang, Hengrui and Chen, Wei and Rondinelli, James M. and Chen, Wei},\n\ttitle = {{ET}-{AL}: Entropy-targeted active learning for bias mitigation in materials data},\n\tjournal = {Applied Physics Reviews}\n}\n\n%239\n
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\n \n\n \n \n \n \n Tungsten Oxide Mediated Quasi-van der Waals Epitaxy of WS$_2$ on Sapphire.\n \n \n\n\n \n Cohen, A.; Mohapatra, P. K.; Hettler, S.; Patsha, A.; Narayanachari, K. V. L. V.; Shekhter, P.; Cavin, J.; Rondinelli, J. M.; Bedzyk, M.; Dieguez, O.; Arenal, R.; and Ismach, A.\n\n\n \n\n\n\n ACS Nano, 17(6): 5399–5411. mar 2023.\n \n\n\n\n
\n\n\n\n \n \n \"TungstenPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Cohen_2023,\n\tdoi = {10.1021/acsnano.2c09754},\n\turl = {https://doi.org/10.1021/acsnano.2c09754},\n\tyear = 2023,\n\tmonth = {mar},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {17},\n\tnumber = {6},\n\tpages = {5399--5411},\n\tauthor = {Assael Cohen and Pranab K. Mohapatra and Simon Hettler and Avinash Patsha and K. V. L. V. Narayanachari and Pini Shekhter and John Cavin and James M. Rondinelli and Michael Bedzyk and Oswaldo Dieguez and Raul Arenal and Ariel Ismach},\n\ttitle = {Tungsten Oxide Mediated Quasi-van der Waals Epitaxy of {WS}$_2$ on Sapphire},\n\tjournal = {{ACS} Nano}\n}\n\n%238\n
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\n \n\n \n \n \n \n Topology of three-dimensional Dirac semimetals and quantum spin Hall systems without gapless edge modes.\n \n \n\n\n \n Tyner, A. C.; Sur, S.; Puggioni, D.; Rondinelli, J. M.; and Goswami, P.\n\n\n \n\n\n\n Physical Review Research, 5(1): L012019. feb 2023.\n \n\n\n\n
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@article{Tyner_2023,\n\tdoi = {10.1103/physrevresearch.5.l012019},\n\turl = {https://doi.org/10.1103/physrevresearch.5.l012019},\n\tyear = 2023,\n\tmonth = {feb},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {5},\n\tnumber = {1},\n\tpages = {L012019},\n\tauthor = {Alexander C. Tyner and Shouvik Sur and Danilo Puggioni and James M. Rondinelli and Pallab Goswami},\n\ttitle = {Topology of three-dimensional Dirac semimetals and quantum spin Hall systems without gapless edge modes},\n\tjournal = {Physical Review Research}\n}\n\n%237\n
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\n \n\n \n \n \n \n Noncentrosymmetric $γ$-Cs$_2$I$_4$O$_{11}$ Polyhedral Rearrangements in the Centrosymmetric $β$ Phase.\n \n \n\n\n \n Liang, M.; Lacroix, M.; Tao, C.; Waters, M. J.; Rondinelli, J. M.; and Halasyamani, P. S.\n\n\n \n\n\n\n Inorganic Chemistry, 62(6): 2942-2950. jan 2023.\n \n\n\n\n
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@article{Liang_2023,\n\tdoi = {10.1021/acs.inorgchem.2c04450},\n\turl = {https://doi.org/10.1021/acs.inorgchem.2c04450},\n\tyear = 2023,\n\tmonth = {jan},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {62},\n\tnumber = {6},\n\tpages = {2942-2950},\n\tauthor = {Ming-Li Liang and Matthew Lacroix and Ce Tao and Michael J. Waters and James M. Rondinelli and P. Shiv Halasyamani},\n\ttitle = {{Noncentrosymmetric $\\gamma$-Cs$_2$I$_4$O$_{11}$ Polyhedral Rearrangements in the Centrosymmetric $\\beta$ Phase}},\n\tjournal = {Inorganic Chemistry}\n}\n\n%236\n
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\n \n\n \n \n \n \n Accidental persistent spin textures in the proustite mineral family.\n \n \n\n\n \n Koyama, S.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review B, 107(3): 035154. jan 2023.\n \n\n\n\n
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@article{Koyama_2023,\n\tdoi = {10.1103/physrevb.107.035154},\n\turl = {https://doi.org/10.1103/physrevb.107.035154},\n\tyear = 2023,\n\tmonth = {jan},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {107},\n\tnumber = {3},\n\tauthor = {Sean Koyama and James M. Rondinelli},\n\tpages = {035154},\n\ttitle = {Accidental persistent spin textures in the proustite mineral family},\n\tjournal = {Physical Review B}\n}\n\n%235\n
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\n \n\n \n \n \n \n Strain engineering a persistent spin helix with infinite spin lifetime.\n \n \n\n\n \n Lu, X.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review B, 107(3): 035155. jan 2023.\n \n\n\n\n
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@article{Lu_2023,\n\tdoi = {10.1103/physrevb.107.035155},\n\turl = {https://doi.org/10.1103/physrevb.107.035155},\n\tyear = 2023,\n\tmonth = {jan},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {107},\n\tnumber = {3},\n\tauthor = {Xue-Zeng Lu and James M. Rondinelli},\n\tpages = {035155},\n\ttitle = {Strain engineering a persistent spin helix with infinite spin lifetime},\n\tjournal = {Physical Review B}\n}\n\n%234\n
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\n \n\n \n \n \n \n Polar metals taxonomy for materials classification and discovery.\n \n \n\n\n \n Hickox-Young, D.; Puggioni, D.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review Materials, 7(1): 010301. jan 2023.\n \n\n\n\n
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@article{Hickox_Young_2023,\n\tdoi = {10.1103/physrevmaterials.7.010301},\n\turl = {https://doi.org/10.1103/physrevmaterials.7.010301},\n\tyear = 2023,\n\tmonth = {jan},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {7},\n\tnumber = {1},\n\tauthor = {Daniel Hickox-Young and Danilo Puggioni and James M. Rondinelli},\n\tpages = {010301},\n\ttitle = {Polar metals taxonomy for materials classification and discovery},\n\tjournal = {Physical Review Materials}\n}\n\n%233\n
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\n \n\n \n \n \n \n Descriptor Aided Bayesian Optimization for Many-Level Qualitative Variables With Materials Design Applications.\n \n \n\n\n \n Iyer, A.; Yerramilli, S.; Rondinelli, J. M.; Apley, D. W.; and Chen, W.\n\n\n \n\n\n\n Journal of Mechanical Design, 145(3): 031707. oct 2023.\n \n\n\n\n
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@article{Iyer_2022b,\n\tdoi = {10.1115/1.4055848},\n\turl = {https://doi.org/10.1115/1.4055848},\n\tyear = 2023,\n\tmonth = {oct},\n\tpublisher = {{ASME} International},\n\tvolume = {145},\n\tnumber = {3},\n\tpages = {031707},\n\tauthor = {Akshay Iyer and Suraj Yerramilli and James M. Rondinelli and Daniel W. Apley and Wei Chen},\n\ttitle = {Descriptor Aided Bayesian Optimization for Many-Level Qualitative Variables With Materials Design Applications},\n\tjournal = {Journal of Mechanical Design}\n}\n\n%232\n
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\n \n\n \n \n \n \n From Heterostructures to Solid-Solutions: Structural Tunability in Mixed Halide Perovskites.\n \n \n\n\n \n Shin, D.; Lai, M.; Shin, Y.; Du, J. S.; Jibril, L.; Rondinelli, J. M.; and Mirkin, C. A.\n\n\n \n\n\n\n Advanced Materials, 35(11): 2205923. feb 2023.\n \n\n\n\n
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@article{Shin_2023,\n\tdoi = {10.1002/adma.202205923},\n\turl = {https://doi.org/10.1002/adma.202205923},\n\tyear = 2023,\n\tmonth = {feb},\n\tpublisher = {Wiley},\n\tvolume = {35},\n\tnumber = {11},\n\tpages = {2205923}, \n\tauthor = {Donghoon Shin and Minliang Lai and Yongjin Shin and Jingshan S. Du and Liban Jibril and James M. Rondinelli and Chad A. Mirkin},\n\ttitle = {From Heterostructures to Solid-Solutions: Structural Tunability in Mixed Halide Perovskites},\n\tjournal = {Advanced Materials}\n}\n\n%231\n
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\n  \n 2022\n \n \n (22)\n \n \n
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\n \n\n \n \n \n \n Large Exchange Coupling Between Localized Spins and Topological Bands in MnBi$_2$Te$_4$.\n \n \n\n\n \n Padmanabhan, H.; Stoica, V. A.; Kim, P. K.; Poore, M.; Yang, T.; Shen, X.; Reid, A. H.; Lin, M.; Park, S.; Yang, J.; Wang, H. (.; Koocher, N. Z.; Puggioni, D.; Georgescu, A. B.; Min, L.; Lee, S. H.; Mao, Z.; Rondinelli, J. M.; Lindenberg, A. M.; Chen, L.; Wang, X.; Averitt, R. D.; Freeland, J. W.; and Gopalan, V.\n\n\n \n\n\n\n Advanced Materials, 34(49): 2202841. nov 2022.\n \n\n\n\n
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@article{Padmanabhan_2022b,\n\tdoi = {10.1002/adma.202202841},\n\turl = {https://doi.org/10.1002/adma.202202841},\n\tyear = 2022,\n\tmonth = {nov},\n\tpublisher = {Wiley},\n\tvolume = {34},\n\tnumber = {49},\n\tpages = {2202841},\n\tauthor = {Hari Padmanabhan and Vladimir A. Stoica and Peter K. Kim and Maxwell Poore and Tiannan Yang and Xiaozhe Shen and Alexander H. Reid and Ming-Fu Lin and Suji Park and Jie Yang and Huaiyu (Hugo) Wang and Nathan Z. Koocher and Danilo Puggioni and Alexandru B. Georgescu and Lujin Min and Seng Huat Lee and Zhiqiang Mao and James M. Rondinelli and Aaron M. Lindenberg and Long-Qing Chen and Xijie Wang and Richard D. Averitt and John W. Freeland and Venkatraman Gopalan},\n\ttitle = {Large Exchange Coupling Between Localized Spins and Topological Bands in {MnBi}$_2$Te$_4$},\n\tjournal = {Advanced Materials}\n}\n\n%230\n
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\n \n\n \n \n \n \n Magnetic order driven ultrafast phase transition in NdNiO$_3$.\n \n \n\n\n \n Stoica, V. A.; Puggioni, D.; Zhang, J.; Singla, R.; Dakovski, G. L.; Coslovich, G.; Seaberg, M. H.; Kareev, M.; Middey, S.; Kissin, P.; Averitt, R. D.; Chakhalian, J.; Wen, H.; Rondinelli, J. M.; and Freeland, J. W.\n\n\n \n\n\n\n Physical Review B, 106(16): 165104. oct 2022.\n \n\n\n\n
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@article{Stoica_2022,\n\tdoi = {10.1103/physrevb.106.165104},\n\turl = {https://doi.org/10.1103/physrevb.106.165104},\n\tyear = 2022,\n\tmonth = {oct},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {106},\n\tnumber = {16},\n\tpages = {165104},\n\tauthor = {V. A. Stoica and D. Puggioni and J. Zhang and R. Singla and G. L. Dakovski and G. Coslovich and M. H. Seaberg and M. Kareev and S. Middey and P. Kissin and R. D. Averitt and J. Chakhalian and H. Wen and J. M. Rondinelli and J. W. Freeland},\n\ttitle = {{Magnetic order driven ultrafast phase transition in NdNiO$_3$}},\n\tjournal = {Physical Review B}\n}\n\n%229\n
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\n \n\n \n \n \n \n Density Functional Theory-Based Thermodynamic Model for Stable Scale Formation in Lead-Water Systems.\n \n \n\n\n \n Walters, L. N.; Tai, A. T.; Santucci, R. J.; Scully, J. R.; and Rondinelli, J. M.\n\n\n \n\n\n\n The Journal of Physical Chemistry C, 126(39): 16841-16850. sep 2022.\n \n\n\n\n
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@article{Walters_2022b,\n\tdoi = {10.1021/acs.jpcc.2c04836},\n\turl = {https://doi.org/10.1021/acs.jpcc.2c04836},\n\tyear = 2022,\n\tmonth = {sep},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {126},\n\tnumber = {39},\n\tpages = {16841-16850},\n\tauthor = {Lauren N. Walters and Alex T. Tai and Raymond J. Santucci and John R. Scully and James M. Rondinelli},\n\ttitle = {{Density Functional Theory-Based Thermodynamic Model for Stable Scale Formation in Lead-Water Systems}},\n\tjournal = {The Journal of Physical Chemistry C}\n}\n\n%228\n
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\n \n\n \n \n \n \n Ultrafast Suppression of the Ferroelectric Instability in KTaO$_3$.\n \n \n\n\n \n Krapivin, V.; Gu, M.; Hickox-Young, D.; Teitelbaum, S.; Huang, Y.; de la Peña, G.; Zhu, D.; Sirica, N.; Lee, M.; Prasankumar, R.; Maznev, A.; Nelson, K.; Chollet, M.; Rondinelli, J. M.; Reis, D.; and Trigo, M.\n\n\n \n\n\n\n Physical Review Letters, 129(12): 127601. sep 2022.\n \n\n\n\n
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@article{Krapivin_2022,\n\tdoi = {10.1103/physrevlett.129.127601},\n\turl = {https://doi.org/10.1103/physrevlett.129.127601},\n\tyear = 2022,\n\tmonth = {sep},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {129},\n\tnumber = {12},\n\tpages = {127601}, \n\tauthor = {Viktor Krapivin and Mingqiang Gu and D. Hickox-Young and S.{\\hspace{0.167em}}W. Teitelbaum and Y. Huang and G. de la Pe{\\~{n}}a and D. Zhu and N. Sirica and M.-C. Lee and R.{\\hspace{0.167em}}P. Prasankumar and A.{\\hspace{0.167em}}A. Maznev and K.{\\hspace{0.167em}}A. Nelson and M. Chollet and James M. Rondinelli and D.{\\hspace{0.167em}}A. Reis and M. Trigo},\n\ttitle = {{Ultrafast Suppression of the Ferroelectric Instability in KTaO$_3$}},\n\tjournal = {Physical Review Letters}\n}\n\n%227\n
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\n \n\n \n \n \n \n Local structure and its implications for the relaxor ferroelectric Cd$_2$Nb$_2$O$_7$.\n \n \n\n\n \n Hickox-Young, D.; Laurita, G.; Meier, Q. N.; Olds, D.; Spaldin, N. A.; Norman, M. R.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review Research, 4(3): 033187. sep 2022.\n \n\n\n\n
\n\n\n\n \n \n \"LocalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Hickox_Young_2022,\n\tdoi = {10.1103/physrevresearch.4.033187},\n\turl = {https://doi.org/10.1103/physrevresearch.4.033187},\n\tyear = 2022,\n\tmonth = {sep},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {4},\n\tnumber = {3},\n\tpages = {033187},\n\tauthor = {Daniel Hickox-Young and Geneva Laurita and Quintin N. Meier and Daniel Olds and Nicola A. Spaldin and Michael R. Norman and James M. Rondinelli},\n\ttitle = {{Local structure and its implications for the relaxor ferroelectric  Cd$_2$Nb$_2$O$_7$}},\n\tjournal = {Physical Review Research}\n}\n\n%226\n
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\n \n\n \n \n \n \n Benchmarking structural evolution methods for training of machine learned interatomic potentials.\n \n \n\n\n \n Waters, M. J; and Rondinelli, J. M\n\n\n \n\n\n\n Journal of Physics: Condensed Matter, 34(38): 385901. jul 2022.\n \n\n\n\n
\n\n\n\n \n \n \"BenchmarkingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Waters_2022,\n\tdoi = {10.1088/1361-648x/ac7f73},\n\turl = {https://doi.org/10.1088/1361-648x/ac7f73},\n\tyear = 2022,\n\tmonth = {jul},\n\tpublisher = {{IOP} Publishing},\n\tvolume = {34},\n\tnumber = {38},\n\tpages = {385901},\n\tauthor = {Michael J Waters and James M Rondinelli},\n\ttitle = {Benchmarking structural evolution methods for training of machine learned interatomic potentials},\n\tjournal = {Journal of Physics: Condensed Matter}\n}\n\n%225\n
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\n \n\n \n \n \n \n Carrier-induced metal-insulator transition in trirutile MgTa$_2$O$_6$.\n \n \n\n\n \n Miller, K. D.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review Materials, 6(7): 075007. jul 2022.\n \n\n\n\n
\n\n\n\n \n \n \"Carrier-inducedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Miller_2022,\n\tdoi = {10.1103/physrevmaterials.6.075007},\n\turl = {https://doi.org/10.1103/physrevmaterials.6.075007},\n\tyear = 2022,\n\tmonth = {jul},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {6},\n\tnumber = {7},\n\tauthor = {Kyle D. Miller and James M. Rondinelli},\n\tpages = {075007}, \n\ttitle = {{Carrier-induced metal-insulator transition in trirutile MgTa$_2$O$_6$}},\n\tjournal = {Physical Review Materials}\n}\n\n%224\n
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\n \n\n \n \n \n \n Heteroanionic Control of Exemplary Second-Harmonic Generation and Phase Matchability in 1D LiAsS$_{2-x}$Se$_x$.\n \n \n\n\n \n Oxley, B. M.; Cho, J. B.; Iyer, A. K.; Waters, M. J.; He, J.; Smith, N. C.; Wolverton, C.; Gopalan, V.; Rondinelli, J. M.; Jang, J. I.; and Kanatzidis, M. G.\n\n\n \n\n\n\n Journal of the American Chemical Society, 144(30): 13903-13912. jul 2022.\n \n\n\n\n
\n\n\n\n \n \n \"HeteroanionicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Oxley_2022,\n\tdoi = {10.1021/jacs.2c05447},\n\turl = {https://doi.org/10.1021/jacs.2c05447},\n\tyear = 2022,\n\tmonth = {jul},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {144},\n\tnumber = {30},\n\tpages = {13903-13912},\n\tauthor = {Benjamin M. Oxley and Jeong Bin Cho and Abishek K. Iyer and Michael J. Waters and Jingyang He and Nathan C. Smith and Chris Wolverton and Venkatraman Gopalan and James M. Rondinelli and Joon I. Jang and Mercouri G. Kanatzidis},\n\ttitle = {{Heteroanionic Control of Exemplary Second-Harmonic Generation and Phase Matchability in 1D LiAsS$_{2-x}$Se$_x$}},\n\tjournal = {Journal of the American Chemical Society}\n}\n\n%223\n
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\n \n\n \n \n \n \n Synthesis of the Candidate Topological Compound Ni$_3$Pb$_2$.\n \n \n\n\n \n Tamerius, A. D.; Altman, A. B.; Waters, M. J.; Riesel, E. A.; Malliakas, C. D.; Whitaker, M. L.; Yu, T.; Fabbris, G.; Meng, Y.; Haskel, D.; Wang, Y.; Jacobsen, S. D.; Rondinelli, J. M.; and Freedman, D. E.\n\n\n \n\n\n\n Journal of the American Chemical Society, 144(27): 11943–11948. jun 2022.\n \n\n\n\n
\n\n\n\n \n \n \"SynthesisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Tamerius_2022,\n\tdoi = {10.1021/jacs.2c03485},\n\turl = {https://doi.org/10.1021/jacs.2c03485},\n\tyear = 2022,\n\tmonth = {jun},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {144},\n\tnumber = {27},\n\tpages = {11943--11948},\n\tauthor = {Alexandra D. Tamerius and Alison B. Altman and Michael J. Waters and Eric A. Riesel and Christos D. Malliakas and Matthew L. Whitaker and Tony Yu and Gilberto Fabbris and Yue Meng and Daniel Haskel and Yanbin Wang and Steven D. Jacobsen and James M. Rondinelli and Danna E. Freedman},\n\ttitle = {{Synthesis of the Candidate Topological Compound Ni$_3$Pb$_2$}},\n\tjournal = {Journal of the American Chemical Society}\n}\n\n%222\n
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\n \n\n \n \n \n \n Thermodynamic Descriptors to Predict Oxide Formation in Aqueous Solutions.\n \n \n\n\n \n Walters, L. N.; Wang, E. L.; and Rondinelli, J. M.\n\n\n \n\n\n\n The Journal of Physical Chemistry Letters, 13(26): 6236-6243. jun 2022.\n \n\n\n\n
\n\n\n\n \n \n \"ThermodynamicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Walters_2022a,\n\tdoi = {10.1021/acs.jpclett.2c01173},\n\turl = {https://doi.org/10.1021/acs.jpclett.2c01173},\n\tyear = 2022,\n\tmonth = {jun},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {13},\n\tnumber = {26},\n\tpages = {6236-6243},\n\tauthor = {Lauren N. Walters and Emily L. Wang and James M. Rondinelli},\n\ttitle = {Thermodynamic Descriptors to Predict Oxide Formation in Aqueous Solutions},\n\tjournal = {The Journal of Physical Chemistry Letters}\n}\n\n%221\n
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\n \n\n \n \n \n \n Trigonal symmetry breaking and its electronic effects in the two-dimensional dihalides $MX_2$ and trihalides $MX_3$.\n \n \n\n\n \n Georgescu, A. B.; Millis, A. J.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review B, 105(24): 245153. jun 2022.\n \n\n\n\n
\n\n\n\n \n \n \"TrigonalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Georgescu_2022,\n\tdoi = {10.1103/physrevb.105.245153},\n\turl = {https://doi.org/10.1103/physrevb.105.245153},\n\tyear = 2022,\n\tmonth = {jun},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {105},\n\tnumber = {24},\n\tpages = {245153},\n\tauthor = {Alexandru B. Georgescu and Andrew J. Millis and James M. Rondinelli},\n\ttitle = {Trigonal symmetry breaking and its electronic effects in the two-dimensional dihalides $MX_2$ and trihalides $MX_3$},\n\tjournal = {Physical Review B}\n}\n\n%220\n
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\n \n\n \n \n \n \n Magnetic structure of oxygen-deficient perovskite nickelates with ordered vacancies.\n \n \n\n\n \n Shin, Y.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review Research, 4(2): L022069. jun 2022.\n \n\n\n\n
\n\n\n\n \n \n \"MagneticPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n  \n \n 1 download\n \n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Shin_2022,\n\tdoi = {10.1103/physrevresearch.4.l022069},\n\turl = {https://doi.org/10.1103/physrevresearch.4.l022069},\n\tyear = 2022,\n\tmonth = {jun},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {4},\n\tnumber = {2},\n\tpages = {L022069},\n\tauthor = {Yongjin Shin and James M. Rondinelli},\n\ttitle = {Magnetic structure of oxygen-deficient perovskite nickelates with ordered vacancies},\n\tjournal = {Physical Review Research}\n}\n\n%219\n
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\n \n\n \n \n \n \n Stability, metallicity, and magnetism in niobium silicide nanofilms.\n \n \n\n\n \n Lu, X.; Goronzy, D. P.; Torres-Castanedo, C. G.; Das, P. M.; Kazemzadeh-Atoufi, M.; McFadden, A.; McRae, C. R. H.; Voorhees, P. W.; Dravid, V. P.; Bedzyk, M. J.; Hersam, M. C.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review Materials, 6(6): 064402. jun 2022.\n \n\n\n\n
\n\n\n\n \n \n \"Stability,Paper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Lu_2022,\n\tdoi = {10.1103/physrevmaterials.6.064402},\n\turl = {https://doi.org/10.1103/physrevmaterials.6.064402},\n\tyear = 2022,\n\tmonth = {jun},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {6},\n\tnumber = {6},\n\tpages = {064402},\n\tauthor = {Xuezeng Lu and Dominic P. Goronzy and Carlos G. Torres-Castanedo and Paul Masih Das and Maryam Kazemzadeh-Atoufi and Anthony McFadden and Corey Rae H. McRae and Peter W. Voorhees and Vinayak P. Dravid and Michael J. Bedzyk and Mark C. Hersam and James M. Rondinelli},\n\ttitle = {Stability, metallicity, and magnetism in niobium silicide nanofilms},\n\tjournal = {Physical Review Materials}\n}\n\n%218\n
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\n \n\n \n \n \n \n Chemical control of spin–lattice relaxation to discover a room temperature molecular qubit.\n \n \n\n\n \n Amdur, M. J.; Mullin, K. R.; Waters, M. J.; Puggioni, D.; Wojnar, M. K.; Gu, M.; Sun, L.; Oyala, P. H.; Rondinelli, J. M.; and Freedman, D. E.\n\n\n \n\n\n\n Chemical Science, 13(23): 7034–7045. 2022.\n \n\n\n\n
\n\n\n\n \n \n \"ChemicalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Amdur_2022,\n\tdoi = {10.1039/d1sc06130e},\n\turl = {https://doi.org/10.1039/d1sc06130e},\n\tyear = 2022,\n\tpublisher = {Royal Society of Chemistry ({RSC})},\n\tvolume = {13},\n\tnumber = {23},\n\tpages = {7034--7045},\n\tauthor = {M. Jeremy Amdur and Kathleen R. Mullin and Michael J. Waters and Danilo Puggioni and Michael K. Wojnar and Mingqiang Gu and Lei Sun and Paul H. Oyala and James M. Rondinelli and Danna E. Freedman},\n\ttitle = {Chemical control of spin--lattice relaxation to discover a room temperature molecular qubit},\n\tjournal = {Chemical Science}\n}\n\n%217\n
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\n \n\n \n \n \n \n Ba$_2$MAsQ$_5$ (Q = S and Se) Family of Polar Structures with Large Second Harmonic Generation and Phase Matchability.\n \n \n\n\n \n Iyer, A. K.; Cho, J. B.; Waters, M. J.; Cho, J. S.; Oxley, B. M.; Rondinelli, J. M.; Jang, J. I.; and Kanatzidis, M. G.\n\n\n \n\n\n\n Chemistry of Materials, 34(11): 5283–5293. may 2022.\n \n\n\n\n
\n\n\n\n \n \n \"Ba$_2$MAsQ$_5$Paper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Iyer_2022a,\n\tdoi = {10.1021/acs.chemmater.2c00962},\n\turl = {https://doi.org/10.1021/acs.chemmater.2c00962},\n\tyear = 2022,\n\tmonth = {may},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {34},\n\tnumber = {11},\n\tpages = {5283--5293},\n\tauthor = {Abishek K. Iyer and Jeong Bin Cho and Michael J. Waters and Jun Sang Cho and Benjamin M. Oxley and James M. Rondinelli and Joon I. Jang and Mercouri G. Kanatzidis},\n\ttitle = {Ba$_2$MAsQ$_5$ (Q = S and Se) Family of Polar Structures with Large Second Harmonic Generation and Phase Matchability},\n\tjournal = {Chemistry of Materials}\n}\n\n%216\n
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\n \n\n \n \n \n \n Low-energy electronic structure of perovskite and Ruddlesden-Popper semiconductors in the Ba-Zr-S system probed by bond-selective polarized x-ray absorption spectroscopy, infrared reflectivity, and Raman scattering.\n \n \n\n\n \n Ye, K.; Koocher, N. Z.; Filippone, S.; Niu, S.; Zhao, B.; Yeung, M.; Bone, S.; Robinson, A. J.; Vora, P.; Schleife, A.; Ju, L.; Boubnov, A.; Rondinelli, J. M.; Ravichandran, J.; and Jaramillo, R.\n\n\n \n\n\n\n Physical Review B, 105(19): 195203. may 2022.\n \n\n\n\n
\n\n\n\n \n \n \"Low-energyPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Ye_2022,\n\tdoi = {10.1103/physrevb.105.195203},\n\turl = {https://doi.org/10.1103/physrevb.105.195203},\n\tyear = 2022,\n\tmonth = {may},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {105},\n\tnumber = {19},\n\tpages = {195203},\n\tauthor = {Kevin Ye and Nathan Z. Koocher and Stephen Filippone and Shanyuan Niu and Boyang Zhao and Matthew Yeung and Sharon Bone and Adam J. Robinson and Patrick Vora and Andr{\\'{e}} Schleife and Long Ju and Alexey Boubnov and James M. Rondinelli and Jayakanth Ravichandran and R. Jaramillo},\n\ttitle = {Low-energy electronic structure of perovskite and Ruddlesden-Popper semiconductors in the Ba-Zr-S system probed by bond-selective polarized x-ray absorption spectroscopy, infrared reflectivity, and Raman scattering},\n\tjournal = {Physical Review B}\n}\n\n%215\n
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\n \n\n \n \n \n \n Learning the crystal structure genome for property classification.\n \n \n\n\n \n Wang, Y.; Zhang, X.; Xia, F.; Olivetti, E. A.; Wilson, S. D.; Seshadri, R.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review Research, 4(2): 023029. apr 2022.\n \n\n\n\n
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@article{Wang_2022,\n\tdoi = {10.1103/physrevresearch.4.023029},\n\turl = {https://doi.org/10.1103/physrevresearch.4.023029},\n\tyear = 2022,\n\tmonth = {apr},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {4},\n\tnumber = {2},\n\tpages = {023029}, \n\tauthor = {Yiqun Wang and Xiao-Jie Zhang and Fei Xia and Elsa A. Olivetti and Stephen D. Wilson and Ram Seshadri and James M. Rondinelli},\n\ttitle = {Learning the crystal structure genome for property classification},\n\tjournal = {Physical Review Research}\n}\n\n%214\n
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\n \n\n \n \n \n \n Interlayer magnetophononic coupling in MnBi$_2$Te$_4$.\n \n \n\n\n \n Padmanabhan, H.; Poore, M.; Kim, P. K.; Koocher, N. Z.; Stoica, V. A.; Puggioni, D.; Wang, H. (.; Shen, X.; Reid, A. H.; Gu, M.; Wetherington, M.; Lee, S. H.; Schaller, R. D.; Mao, Z.; Lindenberg, A. M.; Wang, X.; Rondinelli, J. M.; Averitt, R. D.; and Gopalan, V.\n\n\n \n\n\n\n Nature Communications, 13(1): 1929. apr 2022.\n \n\n\n\n
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@article{Padmanabhan_2022,\n\tdoi = {10.1038/s41467-022-29545-5},\n\turl = {https://doi.org/10.1038/s41467-022-29545-5},\n\tyear = 2022,\n\tmonth = {apr},\n\tpublisher = {Springer Science and Business Media {LLC}},\n\tvolume = {13},\n\tnumber = {1},\n\tpages = {1929},\n\tauthor = {Hari Padmanabhan and Maxwell Poore and Peter K. Kim and Nathan Z. Koocher and Vladimir A. Stoica and Danilo Puggioni and Huaiyu (Hugo) Wang and Xiaozhe Shen and Alexander H. Reid and Mingqiang Gu and Maxwell Wetherington and Seng Huat Lee and Richard D. Schaller and Zhiqiang Mao and Aaron M. Lindenberg and Xijie Wang and James M. Rondinelli and Richard D. Averitt and Venkatraman Gopalan},\n\ttitle = {{Interlayer magnetophononic coupling in {MnBi}$_2$Te$_4$}},\n\tjournal = {Nature Communications}\n}\n\n\n%213\n
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\n \n\n \n \n \n \n Magnetic-Field-Induced Dielectric Anomalies in Cobalt-Containing Garnets.\n \n \n\n\n \n Neer, A. J.; Milam-Guerrero, J.; Fischer, V. A.; Zheng, M.; Spence, N. R.; Cozzan, C.; Gu, M.; Rondinelli, J. M.; Brown, C. M.; and Melot, B. C.\n\n\n \n\n\n\n Inorganic Chemistry, 61(14): 5452-5458. mar 2022.\n \n\n\n\n
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@article{Neer_2022,\n\tdoi = {10.1021/acs.inorgchem.1c03792},\n\turl = {https://doi.org/10.1021/acs.inorgchem.1c03792},\n\tyear = 2022,\n\tmonth = {mar},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {61},\n\tnumber = {14},\n\tpages = {5452-5458},\n\tauthor = {Abbey J. Neer and JoAnna Milam-Guerrero and Veronika A. Fischer and Michelle Zheng and Nicole R. Spence and Clayton Cozzan and Mingqiang Gu and James M. Rondinelli and Craig M. Brown and Brent C. Melot},\n\ttitle = {{Magnetic-Field-Induced Dielectric Anomalies in Cobalt-Containing Garnets}},\n\tjournal = {Inorganic Chemistry}\n}\n\n%212\n
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\n \n\n \n \n \n \n Leggett Modes Accompanying Crystallographic Phase Transitions.\n \n \n\n\n \n Meier, Q. N.; Hickox-Young, D.; Laurita, G.; Spaldin, N. A.; Rondinelli, J. M.; and Norman, M. R.\n\n\n \n\n\n\n Physical Review X, 12(1): 011024. feb 2022.\n \n\n\n\n
\n\n\n\n \n \n \"LeggettPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Meier_2022,\n\tdoi = {10.1103/physrevx.12.011024},\n\turl = {https://doi.org/10.1103/physrevx.12.011024},\n\tyear = 2022,\n\tmonth = {feb},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {12},\n\tnumber = {1},\n\tpages = {011024},\n\tauthor = {Quintin N. Meier and Daniel Hickox-Young and Geneva Laurita and Nicola A. Spaldin and James M. Rondinelli and Michael R. Norman},\n\ttitle = {Leggett Modes Accompanying Crystallographic Phase Transitions},\n\tjournal = {Physical Review X}\n}\n\n%211\n
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\n \n\n \n \n \n \n Low Thermal Conductivity in Heteroanionic Materials with Layers of Homoleptic Polyhedra.\n \n \n\n\n \n Zhang, C.; He, J.; McClain, R.; Xie, H.; Cai, S.; Walters, L. N.; Shen, J.; Ding, F.; Zhou, X.; Malliakas, C. D.; Rondinelli, J. M.; Kanatzidis, M. G.; Wolverton, C.; Dravid, V. P.; and Poeppelmeier, K. R.\n\n\n \n\n\n\n Journal of the American Chemical Society, 144(6): 2569-2579. feb 2022.\n \n\n\n\n
\n\n\n\n \n \n \"LowPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n  \n \n 1 download\n \n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Zhang_2022,\n\tdoi = {10.1021/jacs.1c10284},\n\turl = {https://doi.org/10.1021/jacs.1c10284},\n\tyear = 2022,\n\tmonth = {feb},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {144},\n\tnumber = {6},\n\tpages = {2569-2579},\n\tauthor = {Chi Zhang and Jiangang He and Rebecca McClain and Hongyao Xie and Songting Cai and Lauren N. Walters and Jiahong Shen and Fenghua Ding and Xiuquan Zhou and Christos D. Malliakas and James M. Rondinelli and Mercouri G. Kanatzidis and Chris Wolverton and Vinayak P. Dravid and Kenneth R. Poeppelmeier},\n\ttitle = {Low Thermal Conductivity in Heteroanionic Materials with Layers of Homoleptic Polyhedra},\n\tjournal = {Journal of the American Chemical Society}\n}\n\n%210\n
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\n \n\n \n \n \n \n Controlled n-Doping of Naphthalene-Diimide-Based 2D Polymers.\n \n \n\n\n \n Evans, A. M.; Collins, K. A.; Xun, S.; Allen, T. G.; Jhulki, S.; Castano, I.; Smith, H. L.; Strauss, M. J.; Oanta, A. K.; Liu, L.; Sun, L.; Reid, O. G.; Sini, G.; Puggioni, D.; Rondinelli, J. M.; Rajh, T.; Gianneschi, N. C.; Kahn, A.; Freedman, D. E.; Li, H.; Barlow, S.; Rumbles, G.; Brédas, J.; Marder, S. R.; and Dichtel, W. R.\n\n\n \n\n\n\n Advanced Materials, 34(22): 2101932. feb 2022.\n \n\n\n\n
\n\n\n\n \n \n \"ControlledPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Evans_2022,\n\tdoi = {10.1002/adma.202101932},\n\turl = {https://doi.org/10.1002/adma.202101932},\n\tyear = 2022,\n\tmonth = {feb},\n\tpublisher = {Wiley},\n\tvolume = {34},\n\tnumber = {22},\n\tpages = {2101932},\n\tauthor = {Austin M. Evans and Kelsey A. Collins and Sangni Xun and Taylor G. Allen and Samik Jhulki and Ioannina Castano and Hannah L. Smith and Michael J. Strauss and Alexander K. Oanta and Lujia Liu and Lei Sun and Obadiah G. Reid and Gjergji Sini and Danilo Puggioni and James M. Rondinelli and Tijana Rajh and Nathan C. Gianneschi and Antoine Kahn and Danna E. Freedman and Hong Li and Stephen Barlow and Garry Rumbles and Jean-Luc Br{\\'{e}}das and Seth R. Marder and William R. Dichtel},\n\ttitle = {Controlled n-Doping of Naphthalene-Diimide-Based 2D Polymers},\n\tjournal = {Advanced Materials}\n}\n\n\n%209\n
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\n  \n 2021\n \n \n (23)\n \n \n
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\n \n\n \n \n \n \n Giant Non-Resonant Infrared Second Order Nonlinearity in $γ$-NaAsSe$_2$.\n \n \n\n\n \n He, J.; Iyer, A. K.; Waters, M. J.; Sarkar, S.; Zu, R.; Rondinelli, J. M.; Kanatzidis, M. G.; and Gopalan, V.\n\n\n \n\n\n\n Advanced Optical Materials, 10(2): 2101729. nov 2021.\n \n\n\n\n
\n\n\n\n \n \n \"GiantPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{He_2021,\n\tdoi = {10.1002/adom.202101729},\n\turl = {https://doi.org/10.1002/adom.202101729},\n\tyear = 2021,\n\tmonth = {nov},\n\tpublisher = {Wiley},\n\tvolume = {10},\n\tnumber = {2},\n\tpages = {2101729},\n\tauthor = {Jingyang He and Abishek K. Iyer and Michael J. Waters and Sumanta Sarkar and Rui Zu and James M. Rondinelli and Mercouri G. Kanatzidis and Venkatraman Gopalan},\n\ttitle = {{Giant Non-Resonant Infrared Second Order Nonlinearity in $\\gamma$-{NaAsSe}$_2$}},\n\tjournal = {Advanced Optical Materials}\n}\n\n%208\n
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\n \n\n \n \n \n \n Phase transitions and potential ferroelectricity in noncentrosymmetric KNaNbOF$_5$.\n \n \n\n\n \n Harada, J. K.; Chien, P.; Liu, H.; Patel, S.; Chen, C. A.; Charles, N.; Hu, Y.; Poeppelmeier, K. R.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review Materials, 5(12): 124401. dec 2021.\n \n\n\n\n
\n\n\n\n \n \n \"PhasePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Harada_2021b,\n\tdoi = {10.1103/physrevmaterials.5.124401},\n\turl = {https://doi.org/10.1103/physrevmaterials.5.124401},\n\tyear = 2021,\n\tmonth = {dec},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {5},\n\tnumber = {12},\n\tpages = {124401}, \n\tauthor = {Jaye K. Harada and Po-Hsiu Chien and Haoyu Liu and Sawankumar Patel and Ching-Hwa A. Chen and Nenian Charles and Yan-Yan Hu and Kenneth R. Poeppelmeier and James M. Rondinelli},\n\ttitle = {{Phase transitions and potential ferroelectricity in noncentrosymmetric KNaNbOF$_5$}},\n\tjournal = {Physical Review Materials}\n}\n\n%207\n
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\n \n\n \n \n \n \n Cu$_4$MnGe$_2$S$_7$ and Cu$_2$MnGeS$_4$: two polar thiogermanates exhibiting second harmonic generation in the infrared and structures derived from hexagonal diamond.\n \n \n\n\n \n Glenn, J. R.; Cho, J. B.; Wang, Y.; Craig, A. J.; Zhang, J.; Cribbs, M.; Stoyko, S. S.; Rosello, K. E.; Barton, C.; Bonnoni, A.; Grima-Gallardo, P.; MacNeil, J. H.; Rondinelli, J. M.; Jang, J. I.; and Aitken, J. A.\n\n\n \n\n\n\n Dalton Transactions, 50(47): 17524-17537. 2021.\n \n\n\n\n
\n\n\n\n \n \n \"Cu$_4$MnGe$_2$S$_7$Paper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Glenn_2021,\n\tdoi = {10.1039/d1dt02535j},\n\turl = {https://doi.org/10.1039/d1dt02535j},\n\tyear = 2021,\n\tpublisher = {Royal Society of Chemistry ({RSC})},\n\tvolume = {50},\n\tnumber = {47},\n\tpages = {17524-17537},\n\tauthor = {Jennifer R. Glenn and Jeong Bin Cho and Yiqun Wang and Andrew J. Craig and Jian-Han Zhang and Marvene Cribbs and Stanislav S. Stoyko and Kate E. Rosello and Christopher Barton and Allyson Bonnoni and Pedro Grima-Gallardo and Joseph H. MacNeil and James M. Rondinelli and Joon I. Jang and Jennifer A. Aitken},\n\ttitle = {{Cu$_4$MnGe$_2$S$_7$ and Cu$_2$MnGeS$_4$: two polar thiogermanates exhibiting second harmonic generation in the infrared and structures derived from hexagonal diamond}},\n\tjournal = {Dalton Transactions}\n}\n\n%206\n
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\n \n\n \n \n \n \n Perovskite-like K$_3$TiOF$_5$ Exhibits ($3+1$)-Dimensional Commensurate Structure Induced by Octahedrally Coordinated Potassium Ions.\n \n \n\n\n \n Ding, F.; Charles, N.; Harada, J. K.; Malliakas, C. D.; Zhang, C.; dos Reis, R.; Griffith, K. J.; Nisbet, M. L.; Zhang, W.; Halasyamani, P. S.; Dravid, V. P.; Rondinelli, J. M.; and Poeppelmeier, K. R.\n\n\n \n\n\n\n Journal of the American Chemical Society, 143(45): 18907–18916. nov 2021.\n \n\n\n\n
\n\n\n\n \n \n \"Perovskite-likePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Ding_2021,\n\tdoi = {10.1021/jacs.1c05704},\n\turl = {https://doi.org/10.1021/jacs.1c05704},\n\tyear = 2021,\n\tmonth = {nov},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {143},\n\tnumber = {45},\n\tpages = {18907--18916},\n\tauthor = {Fenghua Ding and Nenian Charles and Jaye K. Harada and Christos D. Malliakas and Chi Zhang and Roberto dos Reis and Kent J. Griffith and Matthew L. Nisbet and Weiguo Zhang and P. Shiv Halasyamani and Vinayak P. Dravid and James M. Rondinelli and Kenneth R. Poeppelmeier},\n\ttitle = {{Perovskite-like K$_3$TiOF$_5$ Exhibits ($3+1$)-Dimensional Commensurate Structure Induced by Octahedrally Coordinated Potassium Ions}},\n\tjournal = {Journal of the American Chemical Society}\n}\n\n%205\n
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\n \n\n \n \n \n \n Strong Magnetocrystalline Anisotropy Arising from Metal–Ligand Covalency in a Metal–Organic Candidate for 2D Magnetic Order.\n \n \n\n\n \n Wang, Y.; Ziebel, M. E.; Sun, L.; Gish, J. T.; Pearson, T. J.; Lu, X.; Thorarinsdottir, A. E.; Hersam, M. C.; Long, J. R.; Freedman, D. E.; Rondinelli, J. M.; Puggioni, D.; and Harris, T. D.\n\n\n \n\n\n\n Chemistry of Materials, 33(22): 8712-8721. nov 2021.\n \n\n\n\n
\n\n\n\n \n \n \"StrongPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Wang_2021b,\n\tdoi = {10.1021/acs.chemmater.1c02670},\n\turl = {https://doi.org/10.1021/acs.chemmater.1c02670},\n\tyear = 2021,\n\tmonth = {nov},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {33},\n\tnumber = {22},\n\tpages = {8712-8721},\n\tauthor = {Yiran Wang and Michael E. Ziebel and Lei Sun and J. Tyler Gish and Tyler J. Pearson and Xue-Zeng Lu and Agnes E. Thorarinsdottir and Mark C. Hersam and Jeffrey R. Long and Danna E. Freedman and James M. Rondinelli and Danilo Puggioni and T. David Harris},\n\ttitle = {Strong Magnetocrystalline Anisotropy Arising from Metal--Ligand Covalency in a Metal--Organic Candidate for 2D Magnetic Order},\n\tjournal = {Chemistry of Materials}\n}\n\n%204\n
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\n \n\n \n \n \n \n Structure Tuning, Strong Second Harmonic Generation Response, and High Optical Stability of the Polar Semiconductors Na$_{1-x}$K$_x$As$Q_2$.\n \n \n\n\n \n Iyer, A. K.; Cho, J. B.; Byun, H. R.; Waters, M. J.; Hao, S.; Oxley, B. M.; Gopalan, V.; Wolverton, C.; Rondinelli, J. M.; Jang, J. I.; and Kanatzidis, M. G.\n\n\n \n\n\n\n Journal of the American Chemical Society, 143(43): 18204–18215. oct 2021.\n \n\n\n\n
\n\n\n\n \n \n \"StructurePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Iyer_2021,\n\tdoi = {10.1021/jacs.1c07993},\n\turl = {https://doi.org/10.1021/jacs.1c07993},\n\tyear = 2021,\n\tmonth = {oct},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {143},\n\tnumber = {43},\n\tpages = {18204--18215},\n\tauthor = {Abishek K. Iyer and Jeong Bin Cho and Hye Ryung Byun and Michael J. Waters and Shiqiang Hao and Benjamin M. Oxley and Venkat Gopalan and Christopher Wolverton and James M. Rondinelli and Joon I. Jang and Mercouri G. Kanatzidis},\n\ttitle = {{Structure Tuning, Strong Second Harmonic Generation Response, and High Optical Stability of the Polar Semiconductors Na$_{1-x}$K$_x$As$Q_2$}},\n\tjournal = {Journal of the American Chemical Society}\n}\n\n%203\n
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\n \n\n \n \n \n \n Heteroanionic Ruddlesden-Popper ferroelectrics from anion order and octahedral tilts.\n \n \n\n\n \n Harada, J. K.; Poeppelmeier, K. R.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review Materials, 5(10): 104404. oct 2021.\n \n\n\n\n
\n\n\n\n \n \n \"HeteroanionicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Harada_2021a,\n\tdoi = {10.1103/physrevmaterials.5.104404},\n\turl = {https://doi.org/10.1103/physrevmaterials.5.104404},\n\tyear = 2021,\n\tmonth = {oct},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {5},\n\tnumber = {10},\n\tpages = {104404}, \n\tauthor = {Jaye K. Harada and Kenneth R. Poeppelmeier and James M. Rondinelli},\n\ttitle = {{Heteroanionic Ruddlesden-Popper ferroelectrics from anion order and octahedral tilts}},\n\tjournal = {Physical Review Materials}\n}\n\n%202\n
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\n \n\n \n \n \n \n Strain-Induced Magnetic Transitions in SrMO$_{2.5}$ (M = Mn, Fe) Thin Films with Ordered Oxygen Vacancies.\n \n \n\n\n \n Shin, Y.; and Rondinelli, J. M.\n\n\n \n\n\n\n Inorganic Chemistry, 60(17): 13161-13167. aug 2021.\n \n\n\n\n
\n\n\n\n \n \n \"Strain-InducedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Shin_2021,\n\tdoi = {10.1021/acs.inorgchem.1c01553},\n\turl = {https://doi.org/10.1021/acs.inorgchem.1c01553},\n\tyear = 2021,\n\tmonth = {aug},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {60},\n\tnumber = {17},\n\tpages = {13161-13167},\n\tauthor = {Yongjin Shin and James M. Rondinelli},\n\ttitle = {{Strain-Induced Magnetic Transitions in SrMO$_{2.5}$ (M = Mn, Fe) Thin Films with Ordered Oxygen Vacancies}},\n\tjournal = {Inorganic Chemistry}\n}\n\n%201\n
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\n \n\n \n \n \n \n Energy contour exploration with potentiostatic kinematics.\n \n \n\n\n \n Waters, M. J; and Rondinelli, J. M\n\n\n \n\n\n\n Journal of Physics: Condensed Matter, 33(44): 445901. aug 2021.\n \n\n\n\n
\n\n\n\n \n \n \"EnergyPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Waters_2021,\n\tdoi = {10.1088/1361-648x/ac1af0},\n\turl = {https://doi.org/10.1088/1361-648x/ac1af0},\n\tyear = 2021,\n\tmonth = {aug},\n\tpublisher = {{IOP} Publishing},\n\tvolume = {33},\n\tnumber = {44},\n\tpages = {445901},\n\tauthor = {Michael J Waters and James M Rondinelli},\n\ttitle = {Energy contour exploration with potentiostatic kinematics},\n\tjournal = {Journal of Physics: Condensed Matter}\n}\n\n%200\n
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\n \n\n \n \n \n \n Database, Features, and Machine Learning Model to Identify Thermally Driven Metal–Insulator Transition Compounds.\n \n \n\n\n \n Georgescu, A. B.; Ren, P.; Toland, A. R.; Zhang, S.; Miller, K. D.; Apley, D. W.; Olivetti, E. A.; Wagner, N.; and Rondinelli, J. M.\n\n\n \n\n\n\n Chemistry of Materials, 33(14): 5591–5605. jul 2021.\n \n\n\n\n
\n\n\n\n \n \n \"Database,Paper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Georgescu_2021,\n\tdoi = {10.1021/acs.chemmater.1c00905},\n\turl = {https://doi.org/10.1021/acs.chemmater.1c00905},\n\tyear = 2021,\n\tmonth = {jul},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {33},\n\tnumber = {14},\n\tpages = {5591--5605},\n\tauthor = {Alexandru B. Georgescu and Peiwen Ren and Aubrey R. Toland and Shengtong Zhang and Kyle D. Miller and Daniel W. Apley and Elsa A. Olivetti and Nicholas Wagner and James M. Rondinelli},\n\ttitle = {Database, Features, and Machine Learning Model to Identify Thermally Driven Metal{\\textendash}Insulator Transition Compounds},\n\tjournal = {Chemistry of Materials}\n}\n\n%199\n
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\n \n\n \n \n \n \n Polar Ferromagnetic Metal by Intercalation of Metal–Amine Complexes.\n \n \n\n\n \n Zheng, H.; Wilfong, B. C.; Hickox-Young, D.; Rondinelli, J. M.; Zavalij, P. Y.; and Rodriguez, E. E.\n\n\n \n\n\n\n Chemistry of Materials, 33(13): 4936-4947. jun 2021.\n \n\n\n\n
\n\n\n\n \n \n \"PolarPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Zheng_2021,\n\tdoi = {10.1021/acs.chemmater.1c00540},\n\turl = {https://doi.org/10.1021/acs.chemmater.1c00540},\n\tyear = 2021,\n\tmonth = {jun},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {33},\n\tnumber = {13},\n\tpages = {4936-4947},\n\tauthor = {Huafei Zheng and Brandon C. Wilfong and Daniel Hickox-Young and James M. Rondinelli and Peter Y. Zavalij and Efrain E. Rodriguez},\n\ttitle = {{Polar Ferromagnetic Metal by Intercalation of Metal--Amine Complexes}},\n\tjournal = {Chemistry of Materials}\n}\n\n%198\n
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\n \n\n \n \n \n \n First-Principles-Based Prediction of Electrochemical Oxidation and Corrosion of Copper under Multiple Environmental Factors.\n \n \n\n\n \n Walters, L. N.; Huang, L.; and Rondinelli, J. M.\n\n\n \n\n\n\n The Journal of Physical Chemistry C, 125(25): 14027–14038. jun 2021.\n \n\n\n\n
\n\n\n\n \n \n \"First-Principles-BasedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Walters_2021b,\n\tdoi = {10.1021/acs.jpcc.1c02505},\n\turl = {https://doi.org/10.1021/acs.jpcc.1c02505},\n\tyear = 2021,\n\tmonth = {jun},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {125},\n\tnumber = {25},\n\tpages = {14027--14038},\n\tauthor = {Lauren N. Walters and Liang-Feng Huang and James M. Rondinelli},\n\ttitle = {{First-Principles-Based Prediction of Electrochemical Oxidation and Corrosion of Copper under Multiple Environmental Factors}},\n\tjournal = {The Journal of Physical Chemistry C}\n}\n\n%197\n
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\n \n\n \n \n \n \n AB$_2$X$_6$ Compounds and the Stabilization of Trirutile Oxides.\n \n \n\n\n \n Schueller, E. C.; Oey, Y. M.; Miller, K. D.; Wyckoff, K. E.; Zhang, R.; Zhang, W.; Wilson, S. D.; Rondinelli, J. M.; and Seshadri, R.\n\n\n \n\n\n\n Inorganic Chemistry, 60(12): 9224-9232. jun 2021.\n \n\n\n\n
\n\n\n\n \n \n \"AB$_2$X$_6$Paper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Schueller_2021,\n\tdoi = {10.1021/acs.inorgchem.1c01366},\n\turl = {https://doi.org/10.1021/acs.inorgchem.1c01366},\n\tyear = 2021,\n\tmonth = {jun},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {60},\n\tnumber = {12},\n\tpages = {9224-9232},\n\tauthor = {Emily C. Schueller and Yuzki M. Oey and Kyle D. Miller and Kira E. Wyckoff and Ruining Zhang and William Zhang and Stephen D. Wilson and James M. Rondinelli and Ram Seshadri},\n\ttitle = {{AB$_2$X$_6$ Compounds and the Stabilization of Trirutile Oxides}},\n\tjournal = {Inorganic Chemistry}\n}\n\n%196\n
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\n \n\n \n \n \n \n Spectral Addressability in a Modular Two Qubit System.\n \n \n\n\n \n von Kugelgen, S.; Krzyaniak, M. D.; Gu, M.; Puggioni, D.; Rondinelli, J. M.; Wasielewski, M. R.; and Freedman, D. E.\n\n\n \n\n\n\n Journal of the American Chemical Society, 143(21): 8069–8077. may 2021.\n \n\n\n\n
\n\n\n\n \n \n \"SpectralPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{von_Kugelgen_2021,\n\tdoi = {10.1021/jacs.1c02417},\n\turl = {https://doi.org/10.1021/jacs.1c02417},\n\tyear = 2021,\n\tmonth = {may},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {143},\n\tnumber = {21},\n\tpages = {8069--8077},\n\tauthor = {Stephen von Kugelgen and Matthew D. Krzyaniak and Mingqiang Gu and Danilo Puggioni and James M. Rondinelli and Michael R. Wasielewski and Danna E. Freedman},\n\ttitle = {{Spectral Addressability in a Modular Two Qubit System}},\n\tjournal = {Journal of the American Chemical Society}\n}\n\n%195\n
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\n \n\n \n \n \n \n Physical insights on the low lattice thermal conductivity of AgInSe$_2$.\n \n \n\n\n \n Zhu, Y.; Wei, B.; Liu, J.; Koocher, N. Z.; Li, Y.; Hu, L.; He, W.; Deng, G.; Xu, W.; Wang, X.; Rondinelli, J. M.; Zhao, L.; Snyder, G. J.; and Hong, J.\n\n\n \n\n\n\n Materials Today Physics, 19: 100428. jul 2021.\n \n\n\n\n
\n\n\n\n \n \n \"PhysicalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Zhu_2021,\n\tdoi = {10.1016/j.mtphys.2021.100428},\n\turl = {https://doi.org/10.1016/j.mtphys.2021.100428},\n\tyear = 2021,\n\tmonth = {jul},\n\tpublisher = {Elsevier {BV}},\n\tvolume = {19},\n\tpages = {100428},\n\tauthor = {Yingcai Zhu and Bin Wei and Junyan Liu and Nathan Z. Koocher and Yongheng Li and Lei Hu and Wenke He and Guochu Deng and Wei Xu and Xueyun Wang and James M. Rondinelli and Li-Dong Zhao and G. Jeffrey Snyder and Jiawang Hong},\n\ttitle = {Physical insights on the low lattice thermal conductivity of {AgInSe}$_2$},\n\tjournal = {Materials Today Physics}\n}\n\n%194\n
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\n \n\n \n \n \n \n Tunable magnetic anisotropy in multiferroic oxides.\n \n \n\n\n \n Lu, X.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review B, 103(18): 184417. may 2021.\n \n\n\n\n
\n\n\n\n \n \n \"TunablePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Lu_2021,\n\tdoi = {10.1103/physrevb.103.184417},\n\turl = {https://doi.org/10.1103/physrevb.103.184417},\n\tyear = 2021,\n\tmonth = {may},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {103},\n\tnumber = {18},\n\tpages = {184417},\n\tauthor = {Xue-Zeng Lu and James M. Rondinelli},\n\ttitle = {Tunable magnetic anisotropy in multiferroic oxides},\n\tjournal = {Physical Review B}\n}\n\n%193\n
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\n \n\n \n \n \n \n Negative thermal expansion in the Ruddlesden-Popper calcium titanates.\n \n \n\n\n \n Koocher, N. Z.; Huang, L.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review Materials, 5(5): 053601. may 2021.\n \n\n\n\n
\n\n\n\n \n \n \"NegativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Koocher_2021,\n\tdoi = {10.1103/physrevmaterials.5.053601},\n\turl = {https://doi.org/10.1103/physrevmaterials.5.053601},\n\tyear = 2021,\n\tmonth = {may},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {5},\n\tnumber = {5},\n\tpages = {053601},\n\tauthor = {Nathan Z. Koocher and Liang-Feng Huang and James M. Rondinelli},\n\ttitle = {{Negative thermal expansion in the Ruddlesden-Popper calcium titanates}},\n\tjournal = {Physical Review Materials}\n}\n\n%192\n
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\n \n\n \n \n \n \n Comprehensive anisotropic linear optical properties of the Weyl semimetals TaAs and NbAs.\n \n \n\n\n \n Zu, R.; Gu, M.; Min, L.; Hu, C.; Ni, N.; Mao, Z.; Rondinelli, J. M.; and Gopalan, V.\n\n\n \n\n\n\n Physical Review B, 103(16): 165137. apr 2021.\n \n\n\n\n
\n\n\n\n \n \n \"ComprehensivePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Zu_2021,\n\tdoi = {10.1103/physrevb.103.165137},\n\turl = {https://doi.org/10.1103/physrevb.103.165137},\n\tyear = 2021,\n\tmonth = {apr},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {103},\n\tnumber = {16},\n\tpages = {165137},\n\tauthor = {Rui Zu and Mingqiang Gu and Lujin Min and Chaowei Hu and Ni Ni and Zhiqiang Mao and James M. Rondinelli and Venkatraman Gopalan},\n\ttitle = {Comprehensive anisotropic linear optical properties of the Weyl semimetals {TaAs} and {NbAs}},\n\tjournal = {Physical Review B}\n}\n\n%191\n
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\n \n\n \n \n \n \n First-Principles Hydrothermal Synthesis Design to Optimize Conditions and Increase the Yield of Quaternary Heteroanionic Oxychalcogenides.\n \n \n\n\n \n Walters, L. N.; Zhang, C.; Dravid, V. P.; Poeppelmeier, K. R.; and Rondinelli, J. M.\n\n\n \n\n\n\n Chemistry of Materials, 33(8): 2726–2741. apr 2021.\n \n\n\n\n
\n\n\n\n \n \n \"First-PrinciplesPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Walters_2021a,\n\tdoi = {10.1021/acs.chemmater.0c02682},\n\turl = {https://doi.org/10.1021/acs.chemmater.0c02682},\n\tyear = 2021,\n\tmonth = {apr},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {33},\n\tnumber = {8},\n\tpages = {2726--2741},\n\tauthor = {Lauren N. Walters and Chi Zhang and Vinayak P. Dravid and Kenneth R. Poeppelmeier and James M. Rondinelli},\n\ttitle = {{First-Principles Hydrothermal Synthesis Design to Optimize Conditions and Increase the Yield of Quaternary Heteroanionic Oxychalcogenides}},\n\tjournal = {Chemistry of Materials}\n}\n\n%190\n
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\n \n\n \n \n \n \n Local Distortions and Metal–Semiconductor–Metal Transition in Quasi-One-Dimensional Nanowire Compounds AV$_3$Q$_3$O$_δ$ (A = K, Rb, Cs and Q = Se, Te).\n \n \n\n\n \n Guo, Z.; Sun, F.; Puggioni, D.; Luo, Y.; Li, X.; Zhou, X.; Chung, D. Y.; Cheng, E.; Li, S.; Rondinelli, J. M.; Yuan, W.; and Kanatzidis, M. G.\n\n\n \n\n\n\n Chemistry of Materials, 33(7): 2611–2623. apr 2021.\n \n\n\n\n
\n\n\n\n \n \n \"LocalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Guo_2021,\n\tdoi = {10.1021/acs.chemmater.1c00434},\n\turl = {https://doi.org/10.1021/acs.chemmater.1c00434},\n\tyear = 2021,\n\tmonth = {apr},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {33},\n\tnumber = {7},\n\tpages = {2611--2623},\n\tauthor = {Zhongnan Guo and Fan Sun and Danilo Puggioni and Yubo Luo and Xiaotong Li and Xiuquan Zhou and Duck Young Chung and Erjian Cheng and Shiyan Li and James M. Rondinelli and Wenxia Yuan and Mercouri G. Kanatzidis},\n\ttitle = {{Local Distortions and Metal--Semiconductor--Metal Transition in Quasi-One-Dimensional Nanowire Compounds AV$_3$Q$_3$O$_\\delta$ (A = K, Rb, Cs and Q = Se, Te)}},\n\tjournal = {Chemistry of Materials}\n}\n\n%189\n
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\n \n\n \n \n \n \n Strain-Induced Anion-Site Occupancy in Perovskite Oxyfluoride Films.\n \n \n\n\n \n Wang, J.; Shin, Y.; Paudel, J. R.; Grassi, J. D.; Sah, R. K.; Yang, W.; Karapetrova, E.; Zaidan, A.; Strocov, V. N.; Klewe, C.; Shafer, P.; Gray, A. X.; Rondinelli, J. M.; and May, S. J.\n\n\n \n\n\n\n Chemistry of Materials, 33(5): 1811-1820. feb 2021.\n \n\n\n\n
\n\n\n\n \n \n \"Strain-InducedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Wang_2021,\n\tdoi = {10.1021/acs.chemmater.0c04793},\n\turl = {https://doi.org/10.1021/acs.chemmater.0c04793},\n\tyear = 2021,\n\tmonth = {feb},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {33},\n\tnumber = {5},\n\tpages = {1811-1820},\n\tauthor = {Jiayi Wang and Yongjin Shin and Jay R. Paudel and Joseph D. Grassi and Raj K. Sah and Weibing Yang and Evguenia Karapetrova and Abdulhadi Zaidan and Vladimir N. Strocov and Christoph Klewe and Padraic Shafer and Alexander X. Gray and James M. Rondinelli and Steven J. May},\n\ttitle = {{Strain-Induced Anion-Site Occupancy in Perovskite Oxyfluoride Films}},\n\tjournal = {Chemistry of Materials}\n}\n\n%188\n
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\n \n\n \n \n \n \n Durable Multimetal Oxychloride Intergrowths for Visible Light-Driven Water Splitting.\n \n \n\n\n \n Chatterjee, K.; Reis, R. D.; Harada, J. K.; Mathiesen, J. K.; Bueno, S. L. A.; Jensen, K. M. Ø.; Rondinelli, J. M.; Dravid, V.; and Skrabalak, S. E.\n\n\n \n\n\n\n Chemistry of Materials, 33(1): 347-358. dec 2021.\n \n\n\n\n
\n\n\n\n \n \n \"DurablePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Chatterjee_2021,\n\tdoi = {10.1021/acs.chemmater.0c04037},\n\turl = {https://doi.org/10.1021/acs.chemmater.0c04037},\n\tyear = 2021,\n\tmonth = {dec},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {33},\n\tnumber = {1},\n\tpages = {347-358},\n\tauthor = {Kaustav Chatterjee and Roberto Dos Reis and Jaye K. Harada and Jette K. Mathiesen and Sandra L. A. Bueno and Kirsten M. {\\O}. Jensen and James M. Rondinelli and Vinayak Dravid and Sara E. Skrabalak},\n\ttitle = {Durable Multimetal Oxychloride Intergrowths for Visible Light-Driven Water Splitting},\n\tjournal = {Chemistry of Materials}\n}\n\n%187\n
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\n \n\n \n \n \n \n Computationally Directed Discovery of MoBi$_2$.\n \n \n\n\n \n Altman, A. B.; Tamerius, A. D.; Koocher, N. Z.; Meng, Y.; Pickard, C. J.; Walsh, J. P. S.; Rondinelli, J. M.; Jacobsen, S. D.; and Freedman, D. E.\n\n\n \n\n\n\n Journal of the American Chemical Society, 143(1): 214-222. dec 2021.\n \n\n\n\n
\n\n\n\n \n \n \"ComputationallyPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Altman_2021,\n\tdoi = {10.1021/jacs.0c09419},\n\turl = {https://doi.org/10.1021/jacs.0c09419},\n\tyear = 2021,\n\tmonth = {dec},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {143},\n\tnumber = {1},\n\tpages = {214-222},\n\tauthor = {Alison B. Altman and Alexandra D. Tamerius and Nathan Z. Koocher and Yue Meng and Chris J. Pickard and James P. S. Walsh and James M. Rondinelli and Steven D. Jacobsen and Danna E. Freedman},\n\ttitle = {{Computationally Directed Discovery of {MoBi}$_2$}},\n\tjournal = {Journal of the American Chemical Society}\n}\n\n%186\n
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\n  \n 2020\n \n \n (19)\n \n \n
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\n \n\n \n \n \n \n Ferri-chiral compounds with potentially switchable Dresselhaus spin splitting.\n \n \n\n\n \n Huang, P.; Xia, Z.; Gao, X.; Rondinelli, J. M.; Zhang, X.; Zhang, H.; Poeppelmeier, K. R.; and Zunger, A.\n\n\n \n\n\n\n Physical Review B, 102(23): 235127. dec 2020.\n \n\n\n\n
\n\n\n\n \n \n \"Ferri-chiralPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Huang_2020,\n\tdoi = {10.1103/physrevb.102.235127},\n\turl = {https://doi.org/10.1103/physrevb.102.235127},\n\tyear = 2020,\n\tmonth = {dec},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {102},\n\tnumber = {23},\n\tpages = {235127}, \n\tauthor = {Pu Huang and Zhiguo Xia and Xiaoqing Gao and James M. Rondinelli and Xiuwen Zhang and Han Zhang and Kenneth R. Poeppelmeier and Alex Zunger},\n\ttitle = {Ferri-chiral compounds with potentially switchable Dresselhaus spin splitting},\n\tjournal = {Physical Review B}\n}\n\n%185\n
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\n \n\n \n \n \n \n Hybrid improper antiferroelectricity—New insights for novel device concepts.\n \n \n\n\n \n Lu, X.; and Rondinelli, J. M.\n\n\n \n\n\n\n MRS Advances, 5(64): 3521–3545. dec 2020.\n \n\n\n\n
\n\n\n\n \n \n \"HybridPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Lu_2020b,\n\tdoi = {10.1557/adv.2020.450},\n\turl = {https://doi.org/10.1557/adv.2020.450},\n\tyear = 2020,\n\tmonth = {dec},\n\tpublisher = {Springer Science and Business Media {LLC}},\n\tvolume = {5},\n\tnumber = {64},\n\tpages = {3521--3545},\n\tauthor = {Xue-Zeng Lu and James M. Rondinelli},\n\ttitle = {{Hybrid improper antiferroelectricity---New insights for novel device concepts}},\n\tjournal = {{MRS} Advances}\n}\n\n%184\n
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\n \n\n \n \n \n \n Featureless adaptive optimization accelerates functional electronic materials design.\n \n \n\n\n \n Wang, Y.; Iyer, A.; Chen, W.; and Rondinelli, J. M.\n\n\n \n\n\n\n Applied Physics Reviews, 7(4): 041403. nov 2020.\n \n\n\n\n
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@article{Wang_2020,\n\tdoi = {10.1063/5.0018811},\n\turl = {https://doi.org/10.1063/5.0018811},\n\tyear = 2020,\n\tmonth = {nov},\n\tpublisher = {{AIP} Publishing},\n\tvolume = {7},\n\tnumber = {4},\n\tpages = {041403}, \n\tauthor = {Yiqun Wang and Akshay Iyer and Wei Chen and James M. Rondinelli},\n\ttitle = {Featureless adaptive optimization accelerates functional electronic materials design},\n\tjournal = {Applied Physics Reviews}\n}\n\n%183\n
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\n \n\n \n \n \n \n Structural signatures of the insulator-to-metal transition in BaCo$_{1-x}$Ni$_x$S$_2$.\n \n \n\n\n \n Schueller, E. C.; Miller, K. D.; Zhang, W.; Zuo, J. L.; Rondinelli, J. M.; Wilson, S. D.; and Seshadri, R.\n\n\n \n\n\n\n Physical Review Materials, 4(10): 104401. oct 2020.\n \n\n\n\n
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@article{Schueller_2020,\n\tdoi = {10.1103/physrevmaterials.4.104401},\n\turl = {https://doi.org/10.1103/physrevmaterials.4.104401},\n\tyear = 2020,\n\tmonth = {oct},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {4},\n\tnumber = {10},\n\tpages = {104401},\n\tauthor = {Emily C. Schueller and Kyle D. Miller and William Zhang and Julia L. Zuo and James M. Rondinelli and Stephen D. Wilson and Ram Seshadri},\n\ttitle = {{Structural signatures of the insulator-to-metal transition in BaCo$_{1-x}$Ni$_x$S$_2$}},\n\tjournal = {Physical Review Materials}\n}\n\n%182\n
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\n \n\n \n \n \n \n Pressure effects on magnetism in Ca$_2$Mn$_2$O$_5$-type ferrites and manganites.\n \n \n\n\n \n Shin, Y.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review B, 102(10): 104426. sep 2020.\n \n\n\n\n
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@article{Shin_2020,\n\tdoi = {10.1103/physrevb.102.104426},\n\turl = {https://doi.org/10.1103/physrevb.102.104426},\n\tyear = 2020,\n\tmonth = {sep},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {102},\n\tnumber = {10},\n\tpages = {104426}, \n\tauthor = {Yongjin Shin and James M. Rondinelli},\n\ttitle = {{Pressure effects on magnetism in Ca$_2$Mn$_2$O$_5$-type ferrites and manganites}},\n\tjournal = {Physical Review B}\n}\n\n%181\n
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\n \n\n \n \n \n \n Discovery Principles and Materials for Symmetry-Protected Persistent Spin Textures with Long Spin Lifetimes.\n \n \n\n\n \n Lu, X.; and Rondinelli, J. M.\n\n\n \n\n\n\n Matter, 3(4): 1211-1225. oct 2020.\n \n\n\n\n
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@article{Lu_2020a,\n\tdoi = {10.1016/j.matt.2020.08.028},\n\turl = {https://doi.org/10.1016/j.matt.2020.08.028},\n\tyear = 2020,\n\tmonth = {oct},\n\tpublisher = {Elsevier {BV}},\n\tvolume = {3},\n\tnumber = {4},\n\tpages = {1211-1225},\n\tauthor = {Xue-Zeng Lu and James M. Rondinelli},\n\ttitle = {Discovery Principles and Materials for Symmetry-Protected Persistent Spin Textures with Long Spin Lifetimes},\n\tjournal = {Matter}\n}\n\n%180\n
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\n \n\n \n \n \n \n Discovery of highly polarizable semiconductors BaZrS$_3$ and Ba$_3$Zr$_2$S$_7$.\n \n \n\n\n \n Filippone, S.; Zhao, B.; Niu, S.; Koocher, N. Z.; Silevitch, D.; Fina, I.; Rondinelli, J. M.; Ravichandran, J.; and Jaramillo, R.\n\n\n \n\n\n\n Physical Review Materials, 4(9): 091601(R). sep 2020.\n \n\n\n\n
\n\n\n\n \n \n \"DiscoveryPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Filippone_2020,\n\tdoi = {10.1103/physrevmaterials.4.091601},\n\turl = {https://doi.org/10.1103/physrevmaterials.4.091601},\n\tyear = 2020,\n\tmonth = {sep},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {4},\n\tnumber = {9},\n\tpages = {091601(R)},\n\tauthor = {Stephen Filippone and Boyang Zhao and Shanyuan Niu and Nathan Z. Koocher and Daniel Silevitch and Ignasi Fina and James M. Rondinelli and Jayakanth Ravichandran and R. Jaramillo},\n\ttitle = {{Discovery of highly polarizable semiconductors BaZrS$_3$ and Ba$_3$Zr$_2$S$_7$}},\n\tjournal = {Physical Review Materials}\n}\n\n%179\n
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\n \n\n \n \n \n \n Pressure-Induced Collapse of Magnetic Order in Jarosite.\n \n \n\n\n \n Klein, R. A.; Walsh, J. P. S.; Clarke, S. M.; Liu, Z.; Alp, E. E.; Bi, W.; Meng, Y.; Altman, A. B.; Chow, P.; Xiao, Y.; Norman, M. R.; Rondinelli, J. M.; Jacobsen, S. D.; Puggioni, D.; and Freedman, D. E.\n\n\n \n\n\n\n Physical Review Letters, 125(7): 077202. aug 2020.\n \n\n\n\n
\n\n\n\n \n \n \"Pressure-InducedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Klein_2020,\n\tdoi = {10.1103/physrevlett.125.077202},\n\turl = {https://doi.org/10.1103/physrevlett.125.077202},\n\tyear = 2020,\n\tmonth = {aug},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {125},\n\tnumber = {7},\n\tpages = {077202},\n\tauthor = {Klein, Ryan A. and Walsh, James P. S. and Clarke, Samantha M. and Liu, Zhenxian and Alp, E. Ercan and Bi, Wenli and Meng, Yue and Altman, Alison B. and Chow, Paul and Xiao, Yuming and Norman, M. R. and Rondinelli, James M. and Jacobsen, Steven D. and Puggioni, Danilo and Freedman, Danna E.},\n\ttitle = {Pressure-Induced Collapse of Magnetic Order in Jarosite},\n\tjournal = {Physical Review Letters}\n}\n\n%178\n
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\n \n\n \n \n \n \n Evidence for an extended critical fluctuation region above the polar ordering transition in LiOsO$_3$.\n \n \n\n\n \n Shan, J.; de la Torre, A.; Laurita, N. J.; Zhao, L.; Dashwood, C. D.; Puggioni, D.; Wang, C. X.; Yamaura, K.; Shi, Y.; Rondinelli, J. M.; and Hsieh, D.\n\n\n \n\n\n\n Physical Review Research, 2(3): 033174. jul 2020.\n \n\n\n\n
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@article{Shan_2020,\n\tdoi = {10.1103/physrevresearch.2.033174},\n\turl = {https://doi.org/10.1103/physrevresearch.2.033174},\n\tyear = 2020,\n\tmonth = {jul},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {2},\n\tnumber = {3},\n\tpages = {033174}, \n\tauthor = {Jun-Yi Shan and A. de la Torre and N. J. Laurita and L. Zhao and C. D. Dashwood and D. Puggioni and C. X. Wang and K. Yamaura and Y. Shi and J. M. Rondinelli and D. Hsieh},\n\ttitle = {{Evidence for an extended critical fluctuation region above the polar ordering transition in LiOsO$_3$}},\n\tjournal = {Physical Review Research}\n}\n\n%177\n
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\n \n\n \n \n \n \n Persistent polar distortions from covalent interactions in doped BaTiO$_3$.\n \n \n\n\n \n Hickox-Young, D.; Puggioni, D.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review B, 102(1): 014108. jul 2020.\n \n\n\n\n
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@article{Hickox_Young_2020,\n\tdoi = {10.1103/physrevb.102.014108},\n\turl = {https://doi.org/10.1103/physrevb.102.014108},\n\tyear = 2020,\n\tmonth = {jul},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {102},\n\tnumber = {1},\n\tpages = {014108},\n\tauthor = {Daniel Hickox-Young and Danilo Puggioni and James M. Rondinelli},\n\ttitle = {{Persistent polar distortions from covalent interactions in doped BaTiO$_3$}},\n\tjournal = {Physical Review B}\n}\n\n%176\n
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\n \n\n \n \n \n \n Chemical gradients in human enamel crystallites.\n \n \n\n\n \n DeRocher, K. A.; Smeets, P. J. M.; Goodge, B. H.; Zachman, M. J.; Balachandran, P. V.; Stegbauer, L.; Cohen, M. J.; Gordon, L. M.; Rondinelli, J. M.; Kourkoutis, L. F.; and Joester, D.\n\n\n \n\n\n\n Nature, 583(7814): 66-71. jul 2020.\n \n\n\n\n
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@article{DeRocher_2020,\n\tdoi = {10.1038/s41586-020-2433-3},\n\turl = {https://doi.org/10.1038/s41586-020-2433-3},\n\tyear = 2020,\n\tmonth = {jul},\n\tpublisher = {Springer Science and Business Media {LLC}},\n\tvolume = {583},\n\tnumber = {7814},\n\tpages = {66-71},\n\tauthor = {Karen A. DeRocher and Paul J. M. Smeets and Berit H. Goodge and Michael J. Zachman and Prasanna V. Balachandran and Linus Stegbauer and Michael J. Cohen and Lyle M. Gordon and James M. Rondinelli and Lena F. Kourkoutis and Derk Joester},\n\ttitle = {Chemical gradients in human enamel crystallites},\n\tjournal = {Nature}\n}\n\n%175\n
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\n \n\n \n \n \n \n Multimodal Structure Solution with $^{19}$F NMR Crystallography of Spin Singlet Molybdenum Oxyfluorides.\n \n \n\n\n \n Ding, F.; Griffith, K. J.; Koçer, C. P.; Saballos, R. J.; Wang, Y.; Zhang, C.; Nisbet, M. L.; Morris, A. J.; Rondinelli, J. M.; and Poeppelmeier, K. R.\n\n\n \n\n\n\n Journal of the American Chemical Society, 142(28): 12288-12298. jun 2020.\n \n\n\n\n
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@article{Ding_2020,\n\tdoi = {10.1021/jacs.0c04019},\n\turl = {https://doi.org/10.1021/jacs.0c04019},\n\tyear = 2020,\n\tmonth = {jun},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {142},\n\tnumber = {28},\n\tpages = {12288-12298},\n\tauthor = {Fenghua Ding and Kent J. Griffith and Can P. Ko{\\c{c}}er and Richard J. Saballos and Yiran Wang and Chi Zhang and Matthew L. Nisbet and Andrew J. Morris and James M. Rondinelli and Kenneth R. Poeppelmeier},\n\ttitle = {{Multimodal Structure Solution with $^{19}$F {NMR} Crystallography of Spin Singlet Molybdenum Oxyfluorides}},\n\tjournal = {Journal of the American Chemical Society}\n}\n\n%174\n
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\n \n\n \n \n \n \n Exploiting Colorimetry for Fidelity in Data Visualization.\n \n \n\n\n \n Waters, M. J.; Walker, J. M.; Nelson, C. T.; Joester, D.; and Rondinelli, J. M.\n\n\n \n\n\n\n Chemistry of Materials, 32(13): 5455-5460. jun 2020.\n \n\n\n\n
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@article{Waters_2020,\n\tdoi = {10.1021/acs.chemmater.0c00933},\n\turl = {https://doi.org/10.1021/acs.chemmater.0c00933},\n\tyear = 2020,\n\tmonth = {jun},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {32},\n\tnumber = {13},\n\tpages = {5455-5460},\n\tauthor = {Michael J. Waters and Jessica M. Walker and Christopher T. Nelson and Derk Joester and James M. Rondinelli},\n\ttitle = {Exploiting Colorimetry for Fidelity in Data Visualization},\n\tjournal = {Chemistry of Materials}\n}\n\n%173\n
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\n \n\n \n \n \n \n Synthetic investigation of competing magnetic interactions in 2D metal–chloranilate radical frameworks.\n \n \n\n\n \n Collins, K. A.; Saballos, R. J.; Fataftah, M. S.; Puggioni, D.; Rondinelli, J. M.; and Freedman, D. E.\n\n\n \n\n\n\n Chemical Science, 11(23): 5922-5928. 2020.\n \n\n\n\n
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@article{Collins_2020,\n\tdoi = {10.1039/d0sc01994a},\n\turl = {https://doi.org/10.1039/d0sc01994a},\n\tyear = 2020,\n\tpublisher = {Royal Society of Chemistry ({RSC})},\n\tvolume = {11},\n\tnumber = {23},\n\tpages = {5922-5928},\n\tauthor = {Kelsey A. Collins and Richard J. Saballos and Majed S. Fataftah and Danilo Puggioni and James M. Rondinelli and Danna E. Freedman},\n\ttitle = {{Synthetic investigation of competing magnetic interactions in 2D metal--chloranilate radical frameworks}},\n\tjournal = {Chemical Science}\n}\n\n%172\n
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\n \n\n \n \n \n \n Microscopic Insights into the Reconstructive Phase Transition of KNaNbOF$_5$ with $^{19}$F NMR Spectroscopy.\n \n \n\n\n \n Chien, P.; Harada, J. K.; Liu, H.; Patel, S.; Huang, C.; Rondinelli, J. M.; Poeppelmeier, K. R.; and Hu, Y.\n\n\n \n\n\n\n Chemistry of Materials, 32(13): 5715-5722. may 2020.\n \n\n\n\n
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@article{Chien_2020,\n\tdoi = {10.1021/acs.chemmater.0c01439},\n\turl = {https://doi.org/10.1021/acs.chemmater.0c01439},\n\tyear = 2020,\n\tmonth = {may},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {32},\n\tnumber = {13},\n\tpages = {5715-5722},\n\tauthor = {Po-Hsiu Chien and Jaye K. Harada and Haoyu Liu and Sawankumar Patel and Chen Huang and James M. Rondinelli and Kenneth R. Poeppelmeier and Yan-Yan Hu},\n\ttitle = {{Microscopic Insights into the Reconstructive Phase Transition of KNaNbOF$_5$ with $^{19}$F {NMR} Spectroscopy}},\n\tjournal = {Chemistry of Materials}\n}\n\n%171\n
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\n \n\n \n \n \n \n Cooperative interactions govern the fermiology of the polar metal Ca$_3$Ru$_2$O$_7$.\n \n \n\n\n \n Puggioni, D.; Horio, M.; Chang, J.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review Research, 2(2): 023141. may 2020.\n \n\n\n\n
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@article{Puggioni_2020,\n\tdoi = {10.1103/physrevresearch.2.023141},\n\turl = {https://doi.org/10.1103/physrevresearch.2.023141},\n\tyear = 2020,\n\tmonth = {may},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {2},\n\tnumber = {2},\n\tpages = {023141},\n\tauthor = {Danilo Puggioni and M. Horio and J. Chang and James M. Rondinelli},\n\ttitle = {{Cooperative interactions govern the fermiology of the polar metal Ca$_3$Ru$_2$O$_7$}},\n\tjournal = {Physical Review Research}\n}\n\n%170\n
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\n \n\n \n \n \n \n Extreme tensile strain states in La$_{0.7}$Ca$_{0.3}$MnO$_3$ membranes.\n \n \n\n\n \n Hong, S. S.; Gu, M.; Verma, M.; Harbola, V.; Wang, B. Y.; Lu, D.; Vailionis, A.; Hikita, Y.; Pentcheva, R.; Rondinelli, J. M.; and Hwang, H. Y.\n\n\n \n\n\n\n Science, 368(6486): 71-76. apr 2020.\n \n\n\n\n
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@article{Hong_2020,\n\tdoi = {10.1126/science.aax9753},\n\turl = {https://doi.org/10.1126/science.aax9753},\n\tyear = 2020,\n\tmonth = {apr},\n\tpublisher = {American Association for the Advancement of Science ({AAAS})},\n\tvolume = {368},\n\tnumber = {6486},\n\tpages = {71-76},\n\tauthor = {Seung Sae Hong and Mingqiang Gu and Manish Verma and Varun Harbola and Bai Yang Wang and Di Lu and Arturas Vailionis and Yasuyuki Hikita and Rossitza Pentcheva and James M. Rondinelli and Harold Y. Hwang},\n\ttitle = {{Extreme tensile strain states in La$_{0.7}$Ca$_{0.3}$MnO$_3$ membranes}},\n\tjournal = {Science}\n}\n\n%169\n
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\n \n\n \n \n \n \n Anion Ordered and Ferroelectric Ruddlesden–Popper Oxynitride Ca$_3$Nb$_2$N$_2$O$_5$ for Visible-Light-Active Photocatalysis.\n \n \n\n\n \n Gou, G.; Zhao, M.; Shi, J.; Harada, J. K.; and Rondinelli, J. M.\n\n\n \n\n\n\n Chemistry of Materials, 32(7): 2815-2823. mar 2020.\n \n\n\n\n
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@article{Gou_2020,\n\tdoi = {10.1021/acs.chemmater.9b04429},\n\turl = {https://doi.org/10.1021/acs.chemmater.9b04429},\n\tyear = 2020,\n\tmonth = {mar},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {32},\n\tnumber = {7},\n\tpages = {2815-2823},\n\tauthor = {Gaoyang Gou and Min Zhao and Jing Shi and Jaye K. Harada and James M. Rondinelli},\n\ttitle = {{Anion Ordered and Ferroelectric Ruddlesden--Popper Oxynitride Ca$_3$Nb$_2$N$_2$O$_5$ for Visible-Light-Active Photocatalysis}},\n\tjournal = {Chemistry of Materials}\n}\n\n%168\n
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\n \n\n \n \n \n \n Uniaxial Strain-Controlled Ground States in Manganite Films.\n \n \n\n\n \n Jin, F.; Gu, M.; Ma, C.; Guo, E.; Zhu, J.; Qu, L.; Zhang, Z.; Zhang, K.; Xu, L.; Chen, B.; Chen, F.; Gao, G.; Rondinelli, J. M.; and Wu, W.\n\n\n \n\n\n\n Nano Letters, 20(2): 1131-1140. jan 2020.\n \n\n\n\n
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@article{Jin_2020,\n\tdoi = {10.1021/acs.nanolett.9b04506},\n\turl = {https://doi.org/10.1021/acs.nanolett.9b04506},\n\tyear = 2020,\n\tmonth = {jan},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {20},\n\tnumber = {2},\n\tpages = {1131-1140},\n\tauthor = {Feng Jin and Mingqiang Gu and Chao Ma and Er-Jia Guo and Jin Zhu and Lili Qu and Zixun Zhang and Kexuan Zhang and Liqiang Xu and Binbin Chen and Feng Chen and Guanyin Gao and James M. Rondinelli and Wenbin Wu},\n\ttitle = {Uniaxial Strain-Controlled Ground States in Manganite Films},\n\tjournal = {Nano Letters}\n}\n\n\n%167\n
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\n \n\n \n \n \n \n Multi-messenger nanoprobes of hidden magnetism in a strained manganite.\n \n \n\n\n \n McLeod, A. S.; Zhang, J.; Gu, M. Q.; Jin, F.; Zhang, G.; Post, K. W.; Zhao, X. G.; Millis, A. J.; Wu, W. B.; Rondinelli, J. M.; Averitt, R. D.; and Basov, D. N.\n\n\n \n\n\n\n Nature Materials, 19(4): 397-404. dec 2019.\n \n\n\n\n
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@article{McLeod_2019,\n\tdoi = {10.1038/s41563-019-0533-y},\n\turl = {https://doi.org/10.1038/s41563-019-0533-y},\n\tyear = 2019,\n\tmonth = {dec},\n\tpublisher = {Springer Science and Business Media {LLC}},\n\tvolume = {19},\n\tnumber = {4},\n\tpages = {397-404},\n\tauthor = {A. S. McLeod and Jingdi Zhang and M. Q. Gu and F. Jin and G. Zhang and K. W. Post and X. G. Zhao and A. J. Millis and W. B. Wu and J. M. Rondinelli and R. D. Averitt and D. N. Basov},\n\ttitle = {Multi-messenger nanoprobes of hidden magnetism in a strained manganite},\n\tjournal = {Nature Materials}\n}\n\n%166\n
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\n \n\n \n \n \n \n Design of Heteroanionic MoON Exhibiting a Peierls Metal-Insulator Transition.\n \n \n\n\n \n Szymanski, N. J.; Walters, L. N.; Puggioni, D.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review Letters, 123(23): 236402. dec 2019.\n \n\n\n\n
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@article{Szymanski_2019,\n\tdoi = {10.1103/physrevlett.123.236402},\n\turl = {https://doi.org/10.1103/physrevlett.123.236402},\n\tyear = 2019,\n\tmonth = {dec},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {123},\n\tnumber = {23},\n\tpages = {236402},\n\tauthor = {Nathan J. Szymanski and Lauren N. Walters and Danilo Puggioni and James M. Rondinelli},\n\ttitle = {{Design of Heteroanionic {MoON} Exhibiting a Peierls Metal-Insulator Transition}},\n\tjournal = {Physical Review Letters}\n}\n\n%165\n
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\n \n\n \n \n \n \n Understanding Electrochemical Stabilities of Ni-Based Nanofilms from a Comparative Theory–Experiment Approach.\n \n \n\n\n \n Huang, L.; Ha, H. M.; Cwalina, K. L.; Scully, J. R.; and Rondinelli, J. M.\n\n\n \n\n\n\n The Journal of Physical Chemistry C, 123(47): 28925-28940. oct 2019.\n \n\n\n\n
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@article{Huang_2019c,\n\tdoi = {10.1021/acs.jpcc.9b05773},\n\turl = {https://doi.org/10.1021/acs.jpcc.9b05773},\n\tyear = 2019,\n\tmonth = {oct},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {123},\n\tnumber = {47},\n\tpages = {28925-28940},\n\tauthor = {Liang-Feng Huang and Hung M. Ha and Katie Lutton Cwalina and John R. Scully and James M. Rondinelli},\n\ttitle = {{Understanding Electrochemical Stabilities of Ni-Based Nanofilms from a Comparative Theory--Experiment Approach}},\n\tjournal = {The Journal of Physical Chemistry C}\n}\n\n%164\n
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\n \n\n \n \n \n \n Synergistically Optimizing Carrier Concentration and Decreasing Sound Velocity in n-type AgInSe$_2$ Thermoelectrics.\n \n \n\n\n \n Zhu, Y.; Liu, Y.; Wood, M.; Koocher, N. Z.; Liu, Y.; Liu, L.; Hu, T.; Rondinelli, J. M.; Hong, J.; Snyder, G. J.; and Xu, W.\n\n\n \n\n\n\n Chemistry of Materials, 31(19): 8182-8190. sep 2019.\n \n\n\n\n
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@article{Zhu_2019,\n\tdoi = {10.1021/acs.chemmater.9b03011},\n\turl = {https://doi.org/10.1021/acs.chemmater.9b03011},\n\tyear = 2019,\n\tmonth = {sep},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {31},\n\tnumber = {19},\n\tpages = {8182-8190},\n\tauthor = {Yingcai Zhu and Yong Liu and Max Wood and Nathan Z. Koocher and Yanyu Liu and Lijuan Liu and Tiandou Hu and James M. Rondinelli and Jiawang Hong and G. Jeffrey Snyder and Wei Xu},\n\ttitle = {{Synergistically Optimizing Carrier Concentration and Decreasing Sound Velocity in n-type {AgInSe}$_2$ Thermoelectrics}},\n\tjournal = {Chemistry of Materials}\n}\n\n%163\n
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\n \n\n \n \n \n \n Assessing exchange-correlation functional performance in the chalcogenide lacunar spinels Ga$M_4Q_8$ ($M=\\textrm{Mo, V, Nb, Ta}; Q = \\textrm{S, Se}$).\n \n \n\n\n \n Wang, Y.; Puggioni, D.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review B, 100(11): 115149. sep 2019.\n \n\n\n\n
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@article{Wang_2019c,\n\tdoi = {10.1103/physrevb.100.115149},\n\turl = {https://doi.org/10.1103/physrevb.100.115149},\n\tyear = 2019,\n\tmonth = {sep},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {100},\n\tnumber = {11},\n\tpages = {115149},\n\tauthor = {Yiqun Wang and Danilo Puggioni and James M. Rondinelli},\n\ttitle = {{Assessing exchange-correlation functional performance in the chalcogenide lacunar spinels Ga$M_4Q_8$ ($M=\\textrm{Mo, V, Nb, Ta}; Q = \\textrm{S, Se}$)}},\n\tjournal = {Physical Review B}\n}\n\n%162\n
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\n \n\n \n \n \n \n Predicting the Structure Stability of Layered Heteroanionic Materials Exhibiting Anion Order.\n \n \n\n\n \n Harada, J. K.; Poeppelmeier, K. R.; and Rondinelli, J. M.\n\n\n \n\n\n\n Inorganic Chemistry, 58(19): 13229-13240. sep 2019.\n \n\n\n\n
\n\n\n\n \n \n \"PredictingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Harada_2019b,\n\tdoi = {10.1021/acs.inorgchem.9b02077},\n\turl = {https://doi.org/10.1021/acs.inorgchem.9b02077},\n\tyear = 2019,\n\tmonth = {sep},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {58},\n\tnumber = {19},\n\tpages = {13229-13240},\n\tauthor = {Jaye K. Harada and Kenneth R. Poeppelmeier and James M. Rondinelli},\n\ttitle = {Predicting the Structure Stability of Layered Heteroanionic Materials Exhibiting Anion Order},\n\tjournal = {Inorganic Chemistry}\n}\n\n%161\n
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\n \n\n \n \n \n \n Uncorrelated Bi off-centering and the insulator-to-metal transition in $A_2$Ru$_2$O$_7$ ruthenium pyrochlores.\n \n \n\n\n \n Laurita, G.; Puggioni, D.; Hickox-Young, D.; Rondinelli, J. M.; Gaultois, M. W.; Page, K.; Lamontagne, L. K.; and Seshadri, R.\n\n\n \n\n\n\n Physical Review Materials, 3(9): 095003. sep 2019.\n \n\n\n\n
\n\n\n\n \n \n \"UncorrelatedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Laurita_2019c,\n\tdoi = {10.1103/physrevmaterials.3.095003},\n\turl = {https://doi.org/10.1103/physrevmaterials.3.095003},\n\tyear = 2019,\n\tmonth = {sep},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {3},\n\tnumber = {9},\n\tpages = {095003},\n\tauthor = {Geneva Laurita and Danilo Puggioni and Daniel Hickox-Young and James M. Rondinelli and Michael W. Gaultois and Katharine Page and Leo K. Lamontagne and Ram Seshadri},\n\ttitle = {{Uncorrelated Bi off-centering and the insulator-to-metal transition in $A_2$Ru$_2$O$_7$ ruthenium pyrochlores}},\n\tjournal = {Physical Review Materials}\n}\n\n%160\n
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\n \n\n \n \n \n \n Probing single-unit-cell resolved electronic structure modulations in oxide superlattices with standing-wave photoemission.\n \n \n\n\n \n Yang, W.; Chandrasena, R. U.; Gu, M.; dos Reis, R. M. S.; Moon, E. J.; Arab, A.; Husanu, M.; Nemšák, S.; Gullikson, E. M.; Ciston, J.; Strocov, V. N.; Rondinelli, J. M.; May, S. J.; and Gray, A. X.\n\n\n \n\n\n\n Physical Review B, 100(12): 125119. sep 2019.\n \n\n\n\n
\n\n\n\n \n \n \"ProbingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Yang_2019,\n\tdoi = {10.1103/physrevb.100.125119},\n\turl = {https://doi.org/10.1103/physrevb.100.125119},\n\tyear = 2019,\n\tmonth = {sep},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {100},\n\tnumber = {12},\n\tpages = {125119},\n\tauthor = {W. Yang and R. U. Chandrasena and M. Gu and R. M. S. dos Reis and E. J. Moon and Arian Arab and M.-A. Husanu and S. Nem{\\v{s}}{\\'{a}}k and E. M. Gullikson and J. Ciston and V. N. Strocov and J. M. Rondinelli and S. J. May and A. X. Gray},\n\ttitle = {Probing single-unit-cell resolved electronic structure modulations in oxide superlattices with standing-wave photoemission},\n\tjournal = {Physical Review B}\n}\n\n%159\n
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\n \n\n \n \n \n \n Catalytic Enhancement of CO Oxidation on LaFeO$_3$ Regulated by Ruddlesden–Popper Stacking Faults.\n \n \n\n\n \n Bornovski, R.; Huang, L.; Komarala, E. P.; Rondinelli, J. M.; and Rosen, B. A.\n\n\n \n\n\n\n ACS Applied Materials & Interfaces, 11(37): 33850-33858. aug 2019.\n \n\n\n\n
\n\n\n\n \n \n \"CatalyticPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Bornovski_2019,\n\tdoi = {10.1021/acsami.9b09404},\n\turl = {https://doi.org/10.1021/acsami.9b09404},\n\tyear = 2019,\n\tmonth = {aug},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {11},\n\tnumber = {37},\n\tpages = {33850-33858},\n\tauthor = {Reut Bornovski and Liang-Feng Huang and Eswaravara Prasadarao Komarala and James M. Rondinelli and Brian A. Rosen},\n\ttitle = {{Catalytic Enhancement of {CO} Oxidation on {LaFeO}$_3$ Regulated by Ruddlesden--Popper Stacking Faults}},\n\tjournal = {{ACS} Applied Materials {\\&} Interfaces}\n}\n\n%158\n
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\n \n\n \n \n \n \n Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd$_2$Nb$_2$O$_{7-x}$S$_x$.\n \n \n\n\n \n Laurita, G.; Hickox-Young, D.; Husremovic, S.; Li, J.; Sleight, A. W.; Macaluso, R.; Rondinelli, J. M.; and Subramanian, M. A.\n\n\n \n\n\n\n Chemistry of Materials, 31(18): 7626-7637. aug 2019.\n \n\n\n\n
\n\n\n\n \n \n \"Covalency-drivenPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Laurita_2019b,\n\tdoi = {10.1021/acs.chemmater.9b02466},\n\turl = {https://doi.org/10.1021/acs.chemmater.9b02466},\n\tyear = 2019,\n\tmonth = {aug},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {31},\n\tnumber = {18},\n\tpages = {7626-7637},\n\tauthor = {Geneva Laurita and Daniel Hickox-Young and Samra Husremovic and Jun Li and Arthur W. Sleight and Robin Macaluso and James M. Rondinelli and Mas A. Subramanian},\n\ttitle = {{Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd$_2$Nb$_2$O$_{7-x}$S$_x$}},\n\tjournal = {Chemistry of Materials}\n}\n\n%157\n
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\n \n\n \n \n \n \n Property control from polyhedral connectivity in $AB$O$_3$ oxides.\n \n \n\n\n \n Wagner, N.; Seshadri, R.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review B, 100(6): 064101. aug 2019.\n \n\n\n\n
\n\n\n\n \n \n \"PropertyPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Wagner_2019,\n\tdoi = {10.1103/physrevb.100.064101},\n\turl = {https://doi.org/10.1103/physrevb.100.064101},\n\tyear = 2019,\n\tmonth = {aug},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {100},\n\tnumber = {6},\n\tpages = {064101},\n\tauthor = {Nicholas Wagner and Ram Seshadri and James M. Rondinelli},\n\ttitle = {{Property control from polyhedral connectivity in $AB$O$_3$ oxides}},\n\tjournal = {Physical Review B}\n}\n\n%156\n
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\n \n\n \n \n \n \n Evidence for the weakly coupled electron mechanism in an Anderson-Blount polar metal.\n \n \n\n\n \n Laurita, N. J.; Ron, A.; Shan, J.; Puggioni, D.; Koocher, N. Z.; Yamaura, K.; Shi, Y.; Rondinelli, J. M.; and Hsieh, D.\n\n\n \n\n\n\n Nature Communications, 10(1): 3217. jul 2019.\n \n\n\n\n
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@article{Laurita_2019a,\n\tdoi = {10.1038/s41467-019-11172-2},\n\turl = {https://doi.org/10.1038/s41467-019-11172-2},\n\tyear = 2019,\n\tmonth = {jul},\n\tpublisher = {Springer Science and Business Media {LLC}},\n\tvolume = {10},\n\tnumber = {1},\n\tpages = {3217},\n\tauthor = {N. J. Laurita and A. Ron and Jun-Yi Shan and D. Puggioni and N. Z. Koocher and K. Yamaura and Y. Shi and J. M. Rondinelli and D. Hsieh},\n\ttitle = {{Evidence for the weakly coupled electron mechanism in an Anderson-Blount polar metal}},\n\tjournal = {Nature Communications}\n}\n\n%155\n
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\n \n\n \n \n \n \n Deliberate Deficiencies: Expanding Electronic Function through Non-stoichiometry.\n \n \n\n\n \n Rondinelli, J. M.; and May, S. J.\n\n\n \n\n\n\n Matter, 1(1): 33-35. jul 2019.\n \n\n\n\n
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@article{Rondinelli_2019,\n\tdoi = {10.1016/j.matt.2019.06.013},\n\turl = {https://doi.org/10.1016/j.matt.2019.06.013},\n\tyear = 2019,\n\tmonth = {jul},\n\tpublisher = {Elsevier {BV}},\n\tvolume = {1},\n\tnumber = {1},\n\tpages = {33-35},\n\tauthor = {James M. Rondinelli and Steven J. May},\n\ttitle = {Deliberate Deficiencies: Expanding Electronic Function through Non-stoichiometry},\n\tjournal = {Matter}\n}\n\n%154\n
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\n \n\n \n \n \n \n High-pressure synthesis of the BiVO$_3$ perovskite.\n \n \n\n\n \n Klein, R. A.; Altman, A. B.; Saballos, R. J.; Walsh, J. P. S.; Tamerius, A. D.; Meng, Y.; Puggioni, D.; Jacobsen, S. D.; Rondinelli, J. M.; and Freedman, D. E.\n\n\n \n\n\n\n Physical Review Materials, 3(6): 064411. jun 2019.\n \n\n\n\n
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@article{Klein_2019,\n\tdoi = {10.1103/physrevmaterials.3.064411},\n\turl = {https://doi.org/10.1103/physrevmaterials.3.064411},\n\tyear = 2019,\n\tmonth = {jun},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {3},\n\tnumber = {6},\n\tpages = {064411},\n\tauthor = {R. A. Klein and A. B. Altman and R. J. Saballos and J. P. S. Walsh and A. D. Tamerius and Y. Meng and D. Puggioni and S. D. Jacobsen and J. M. Rondinelli and D. E. Freedman},\n\ttitle = {{High-pressure synthesis of the BiVO$_3$ perovskite}},\n\tjournal = {Physical Review Materials}\n}\n\n%153\n
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\n \n\n \n \n \n \n Reliable electrochemical phase diagrams of magnetic transition metals and related compounds from high-throughput ab initio calculations.\n \n \n\n\n \n Huang, L.; and Rondinelli, J. M.\n\n\n \n\n\n\n npj Materials Degradation, 3(1): 26. jun 2019.\n \n\n\n\n
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@article{Huang_2019b,\n\tdoi = {10.1038/s41529-019-0088-z},\n\turl = {https://doi.org/10.1038/s41529-019-0088-z},\n\tyear = 2019,\n\tmonth = {jun},\n\tpublisher = {Springer Science and Business Media {LLC}},\n\tvolume = {3},\n\tnumber = {1},\n\tpages = {26},\n\tauthor = {Liang-Feng Huang and James M. Rondinelli},\n\ttitle = {Reliable electrochemical phase diagrams of magnetic transition metals and related compounds from high-throughput ab initio calculations},\n\tjournal = {npj Materials Degradation}\n}\n\n%152\n
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\n \n\n \n \n \n \n Symbolic regression in materials science.\n \n \n\n\n \n Wang, Y.; Wagner, N.; and Rondinelli, J. M.\n\n\n \n\n\n\n MRS Communications, 9(3): 793-805. sep 2019.\n \n\n\n\n
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@article{Wang_2019b,\n\tdoi = {10.1557/mrc.2019.85},\n\turl = {https://doi.org/10.1557/mrc.2019.85},\n\tyear = 2019,\n\tmonth = {sep},\n\tpublisher = {Springer Science and Business Media {LLC}},\n\tvolume = {9},\n\tnumber = {3},\n\tpages = {793-805},\n\tauthor = {Yiqun Wang and Nicholas Wagner and James M. Rondinelli},\n\ttitle = {Symbolic regression in materials science},\n\tjournal = {{MRS} Communications}\n}\n\n%151\n
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\n \n\n \n \n \n \n Comprehensive magnetic phase diagrams of the polar metal Ca$_3$(Ru$_{0.95}$Fe$_{0.05}$)$_2$O$_7$.\n \n \n\n\n \n Lei, S.; Chikara, S.; Puggioni, D.; Peng, J.; Zhu, M.; Gu, M.; Zhao, W.; Wang, Y.; Yuan, Y.; Akamatsu, H.; Chan, M. H. W.; Ke, X.; Mao, Z.; Rondinelli, J. M.; Jaime, M.; Singleton, J.; Weickert, F.; Zapf, V. S.; and Gopalan, V.\n\n\n \n\n\n\n Physical Review B, 99(22): 224411. jun 2019.\n \n\n\n\n
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@article{Lei_2019,\n\tdoi = {10.1103/physrevb.99.224411},\n\turl = {https://doi.org/10.1103/physrevb.99.224411},\n\tyear = 2019,\n\tmonth = {jun},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {99},\n\tnumber = {22},\n\tpages ={224411},\n\tauthor = {Shiming Lei and Shalinee Chikara and Danilo Puggioni and Jin Peng and Mengze Zhu and Mingqiang Gu and Weiwei Zhao and Yu Wang and Yakun Yuan and Hirofumi Akamatsu and Moses H. W. Chan and Xianglin Ke and Zhiqiang Mao and James M. Rondinelli and Marcelo Jaime and John Singleton and Franziska Weickert and Vivien S. Zapf and Venkatraman Gopalan},\n\ttitle = {{Comprehensive magnetic phase diagrams of the polar metal Ca$_3$(Ru$_{0.95}$Fe$_{0.05}$)$_2$O$_7$}},\n\tjournal = {Physical Review B}\n}\n\n%150\n
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\n \n\n \n \n \n \n $A$-site cation size effect on oxygen octahedral rotations in acentric Ruddlesden-Popper alkali rare-earth titanates.\n \n \n\n\n \n Akamatsu, H.; Fujita, K.; Kuge, T.; Gupta, A. S.; Rondinelli, J. M.; Tanaka, I.; Tanaka, K.; and Gopalan, V.\n\n\n \n\n\n\n Physical Review Materials, 3(6): 065001. jun 2019.\n \n\n\n\n
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@article{Akamatsu_2019,\n\tdoi = {10.1103/physrevmaterials.3.065001},\n\turl = {https://doi.org/10.1103/physrevmaterials.3.065001},\n\tyear = 2019,\n\tmonth = {jun},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {3},\n\tnumber = {6},\n\tpages = {065001},\n\tauthor = {Hirofumi Akamatsu and Koji Fujita and Toshihiro Kuge and Arnab Sen Gupta and James M. Rondinelli and Isao Tanaka and Katsuhisa Tanaka and Venkatraman Gopalan},\n\ttitle = {{$A$-site cation size effect on oxygen octahedral rotations in acentric Ruddlesden-Popper alkali rare-earth titanates}},\n\tjournal = {Physical Review Materials}\n}\n\n%149\n
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\n \n\n \n \n \n \n Physical properties of epitaxial SrMnO$_{2.5-δ}$F$_γ$ oxyfluoride films.\n \n \n\n\n \n Wang, J.; Shin, Y.; Gauquelin, N.; Yang, Y.; Lee, C.; Jannis, D.; Verbeeck, J.; Rondinelli, J. M; and May, S. J\n\n\n \n\n\n\n Journal of Physics: Condensed Matter, 31(36): 365602. jun 2019.\n \n\n\n\n
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@article{Wang_2019a,\n\tdoi = {10.1088/1361-648x/ab2414},\n\turl = {https://doi.org/10.1088/1361-648x/ab2414},\n\tyear = 2019,\n\tmonth = {jun},\n\tpublisher = {{IOP} Publishing},\n\tvolume = {31},\n\tnumber = {36},\n\tpages = {365602},\n\tauthor = {Jiayi Wang and Yongjin Shin and Nicolas Gauquelin and Yizhou Yang and Christopher Lee and Daen Jannis and Johan Verbeeck and James M Rondinelli and Steven J May},\n\ttitle = {{Physical properties of epitaxial SrMnO$_{2.5-\\delta}$F$_\\gamma$ oxyfluoride films}},\n\tjournal = {Journal of Physics: Condensed Matter}\n}\n\n%148\n
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\n \n\n \n \n \n \n Two closely related polymorphs of ammonium trifluorooxovanadate.\n \n \n\n\n \n Wustrow, A.; Hancock, J. C.; Holland, M.; Charles, N.; Rondinelli, J. M.; and Poeppelmeier, K. R.\n\n\n \n\n\n\n Journal of Solid State Chemistry, 276: 261-265. aug 2019.\n \n\n\n\n
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@article{Wustrow_2019,\n\tdoi = {10.1016/j.jssc.2019.05.013},\n\turl = {https://doi.org/10.1016/j.jssc.2019.05.013},\n\tyear = 2019,\n\tmonth = {aug},\n\tpublisher = {Elsevier {BV}},\n\tvolume = {276},\n\tpages = {261-265},\n\tauthor = {Allison Wustrow and Justin C. Hancock and Michael Holland and Nenian Charles and James M. Rondinelli and Kenneth R. Poeppelmeier},\n\ttitle = {{Two closely related polymorphs of ammonium trifluorooxovanadate}},\n\tjournal = {Journal of Solid State Chemistry}\n}\n\n%147\n
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\n \n\n \n \n \n \n MnBi$_2$: A Metastable High-Pressure Phase in the Mn–Bi System.\n \n \n\n\n \n Walsh, J. P. S.; Clarke, S. M.; Puggioni, D.; Tamerius, A. D.; Meng, Y.; Rondinelli, J. M.; Jacobsen, S. D.; and Freedman, D. E.\n\n\n \n\n\n\n Chemistry of Materials, 31(9): 3083-3088. apr 2019.\n \n\n\n\n
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@article{Walsh_2019,\n\tdoi = {10.1021/acs.chemmater.9b00385},\n\turl = {https://doi.org/10.1021/acs.chemmater.9b00385},\n\tyear = 2019,\n\tmonth = {apr},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {31},\n\tnumber = {9},\n\tpages = {3083-3088},\n\tauthor = {James P. S. Walsh and Samantha M. Clarke and Danilo Puggioni and Alexandra D. Tamerius and Yue Meng and James M. Rondinelli and Steven D. Jacobsen and Danna E. Freedman},\n\ttitle = {{MnBi$_2$: A Metastable High-Pressure Phase in the Mn--Bi System}},\n\tjournal = {Chemistry of Materials}\n}\n\n%146\n
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\n \n\n \n \n \n \n Ultrafast quasiparticle dynamics in the correlated semimetal Ca$_3$Ru$_2$O$_7$.\n \n \n\n\n \n Yuan, Y.; Kissin, P.; Puggioni, D.; Cremin, K.; Lei, S.; Wang, Y.; Mao, Z.; Rondinelli, J. M.; Averitt, R. D.; and Gopalan, V.\n\n\n \n\n\n\n Physical Review B, 99(15): 155111. apr 2019.\n \n\n\n\n
\n\n\n\n \n \n \"UltrafastPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Yuan_2019,\n\tdoi = {10.1103/physrevb.99.155111},\n\turl = {https://doi.org/10.1103/physrevb.99.155111},\n\tyear = 2019,\n\tmonth = {apr},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {99},\n\tnumber = {15},\n\tpages = {155111},\n\tauthor = {Yakun Yuan and Peter Kissin and Danilo Puggioni and Kevin Cremin and Shiming Lei and Yu Wang and Zhiqiang Mao and James M. Rondinelli and Richard D. Averitt and Venkatraman Gopalan},\n\ttitle = {{Ultrafast quasiparticle dynamics in the correlated semimetal Ca$_3$Ru$_2$O$_7$}},\n\tjournal = {Physical Review B}\n}\n\n%145\n
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\n \n\n \n \n \n \n Modeling Corrosion with First-Principles Electrochemical Phase Diagrams.\n \n \n\n\n \n Huang, L.; Scully, J. R.; and Rondinelli, J. M.\n\n\n \n\n\n\n Annual Review of Materials Research, 49(1): 53-77. jul 2019.\n \n\n\n\n
\n\n\n\n \n \n \"ModelingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Huang_2019a,\n\tdoi = {10.1146/annurev-matsci-070218-010105},\n\turl = {https://doi.org/10.1146/annurev-matsci-070218-010105},\n\tyear = 2019,\n\tmonth = {jul},\n\tpublisher = {Annual Reviews},\n\tvolume = {49},\n\tnumber = {1},\n\tpages = {53-77},\n\tauthor = {Liang-Feng Huang and John R. Scully and James M. Rondinelli},\n\ttitle = {Modeling Corrosion with First-Principles Electrochemical Phase Diagrams},\n\tjournal = {Annual Review of Materials Research}\n}\n\n%144\n
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\n \n\n \n \n \n \n Heteroanionic Materials by Design: Progress Toward Targeted Properties.\n \n \n\n\n \n Harada, J. K.; Charles, N.; Poeppelmeier, K. R.; and Rondinelli, J. M.\n\n\n \n\n\n\n Advanced Materials, 31(19): 1805295. mar 2019.\n \n\n\n\n
\n\n\n\n \n \n \"HeteroanionicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Harada_2019,\n\tdoi = {10.1002/adma.201805295},\n\turl = {https://doi.org/10.1002/adma.201805295},\n\tyear = 2019,\n\tmonth = {mar},\n\tpublisher = {Wiley},\n\tvolume = {31},\n\tnumber = {19},\n\tpages = {1805295},\n\tauthor = {Jaye K. Harada and Nenian Charles and Kenneth R. Poeppelmeier and James M. Rondinelli},\n\ttitle = {Heteroanionic Materials by Design: Progress Toward Targeted Properties},\n\tjournal = {Advanced Materials}\n}\n\n%143\n
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\n \n\n \n \n \n \n Atomic and electronic structure of domains walls in a polar metal.\n \n \n\n\n \n Stone, G.; Puggioni, D.; Lei, S.; Gu, M.; Wang, K.; Wang, Y.; Ge, J.; Lu, X.; Mao, Z.; Rondinelli, J. M.; and Gopalan, V.\n\n\n \n\n\n\n Physical Review B, 99(1): 014105. jan 2019.\n \n\n\n\n
\n\n\n\n \n \n \"AtomicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Stone_2019,\n\tdoi = {10.1103/physrevb.99.014105},\n\turl = {https://doi.org/10.1103/physrevb.99.014105},\n\tyear = 2019,\n\tmonth = {jan},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {99},\n\tnumber = {1},\n\tpages = {014105},\n\tauthor = {Greg Stone and Danilo Puggioni and Shiming Lei and Mingqiang Gu and Ke Wang and Yu Wang and Jianjian Ge and Xue-Zeng Lu and Zhiqiang Mao and James M. Rondinelli and Venkatraman Gopalan},\n\ttitle = {Atomic and electronic structure of domains walls in a polar metal},\n\tjournal = {Physical Review B}\n}\n\n%142\n
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\n \n\n \n \n \n \n Design of New Multiferroic Oxides.\n \n \n\n\n \n Lu, X.; and Rondinelli, J. M.\n\n\n \n\n\n\n In Andreoni, W.; and Yip, S, editor(s), Handbook of Materials Modeling, pages 1-62. Springer International Publishing, oct 2019.\n \n\n\n\n
\n\n\n\n \n \n \"DesignPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@incollection{Lu_2019,\n\tdoi = {10.1007/978-3-319-50257-1_51-1},\n\turl = {https://doi.org/10.1007/978-3-319-50257-1_51-1},\n\tyear = 2019,\n\tmonth = {oct},\n\tpublisher = {Springer International Publishing},\n\tpages = {1-62},\n\tauthor = {Xue-Zeng Lu and James M. Rondinelli},\n\teditor = {Andreoni, W. and Yip, S},\n\ttitle = {Design of New Multiferroic Oxides},\n\tbooktitle = {Handbook of Materials Modeling}\n}\n\n%141\n
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\n \n\n \n \n \n \n Anisotropic magnetoresistance in the itinerant antiferromagnetic EuTiO$_3$.\n \n \n\n\n \n Ahadi, K.; Lu, X.; Salmani-Rezaie, S.; Marshall, P. B.; Rondinelli, J. M.; and Stemmer, S.\n\n\n \n\n\n\n Physical Review B, 99(4): 041106. jan 2019.\n \n\n\n\n
\n\n\n\n \n \n \"AnisotropicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Ahadi_2019,\n\tdoi = {10.1103/physrevb.99.041106},\n\turl = {https://doi.org/10.1103/physrevb.99.041106},\n\tyear = 2019,\n\tmonth = {jan},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {99},\n\tnumber = {4},\n\tpages = {041106},\n\tauthor = {Kaveh Ahadi and Xuezeng Lu and Salva Salmani-Rezaie and Patrick B. Marshall and James M. Rondinelli and Susanne Stemmer},\n\ttitle = {{Anisotropic magnetoresistance in the itinerant antiferromagnetic EuTiO$_3$}},\n\tjournal = {Physical Review B}\n}\n\n%140\n
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\n  \n 2018\n \n \n (23)\n \n \n
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\n \n\n \n \n \n \n Design of a polar half-metallic ferromagnet with accessible and enhanced electric polarization.\n \n \n\n\n \n Puggioni, D.; Stroppa, A.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review Materials, 2(11): 114403. nov 2018.\n \n\n\n\n
\n\n\n\n \n \n \"DesignPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Puggioni_2018b,\n\tdoi = {10.1103/physrevmaterials.2.114403},\n\turl = {https://doi.org/10.1103/physrevmaterials.2.114403},\n\tyear = 2018,\n\tmonth = {nov},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {2},\n\tnumber = {11},\n\tpages = {114403}, \n\tauthor = {Danilo Puggioni and Alessandro Stroppa and James M. Rondinelli},\n\ttitle = {Design of a polar half-metallic ferromagnet with accessible and enhanced electric polarization},\n\tjournal = {Physical Review Materials}\n}\n\n%139\n
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\n \n\n \n \n \n \n Polar metals as electrodes to suppress the critical-thickness limit in ferroelectric nanocapacitors.\n \n \n\n\n \n Puggioni, D.; Giovannetti, G.; and Rondinelli, J. M.\n\n\n \n\n\n\n Journal of Applied Physics, 124(17): 174102. nov 2018.\n \n\n\n\n
\n\n\n\n \n \n \"PolarPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Puggioni_2018a,\n\tdoi = {10.1063/1.5049607},\n\turl = {https://doi.org/10.1063/1.5049607},\n\tyear = 2018,\n\tmonth = {nov},\n\tpublisher = {{AIP} Publishing},\n\tvolume = {124},\n\tnumber = {17},\n\tpages = {174102},\n\tauthor = {Danilo Puggioni and Gianluca Giovannetti and James M. Rondinelli},\n\ttitle = {Polar metals as electrodes to suppress the critical-thickness limit in ferroelectric nanocapacitors},\n\tjournal = {Journal of Applied Physics}\n}\n\n%138\n
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\n \n\n \n \n \n \n Hybrid Improper Ferroelectricity in (Sr,Ca)$_3$Sn$_2$O$_7$ and Beyond: Universal Relationship between Ferroelectric Transition Temperature and Tolerance Factor in $n = 2$ Ruddlesden–Popper Phases.\n \n \n\n\n \n Yoshida, S.; Akamatsu, H.; Tsuji, R.; Hernandez, O.; Padmanabhan, H.; Gupta, A. S.; Gibbs, A. S.; Mibu, K.; Murai, S.; Rondinelli, J. M.; Gopalan, V.; Tanaka, K.; and Fujita, K.\n\n\n \n\n\n\n Journal of the American Chemical Society, 140(46): 15690-15700. oct 2018.\n \n\n\n\n
\n\n\n\n \n \n \"HybridPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Yoshida_2018b,\n\tdoi = {10.1021/jacs.8b07998},\n\turl = {https://doi.org/10.1021/jacs.8b07998},\n\tyear = 2018,\n\tmonth = {oct},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {140},\n\tnumber = {46},\n\tpages = {15690-15700},\n\tauthor = {Suguru Yoshida and Hirofumi Akamatsu and Ryosuke Tsuji and Olivier Hernandez and Haricharan Padmanabhan and Arnab Sen Gupta and Alexandra S. Gibbs and Ko Mibu and Shunsuke Murai and James M. Rondinelli and Venkatraman Gopalan and Katsuhisa Tanaka and Koji Fujita},\n\ttitle = {{Hybrid Improper Ferroelectricity in (Sr,Ca)$_3$Sn$_2$O$_7$ and Beyond: Universal Relationship between Ferroelectric Transition Temperature and Tolerance Factor in $n = 2$  Ruddlesden--Popper Phases}},\n\tjournal = {Journal of the American Chemical Society}\n}\n\n%137\n
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\n \n\n \n \n \n \n Structure Dependent Phase Stability and Thermal Expansion of Ruddlesden–Popper Strontium Titanates.\n \n \n\n\n \n Huang, L.; Koocher, N. Z.; Gu, M.; and Rondinelli, J. M.\n\n\n \n\n\n\n Chemistry of Materials, 30(20): 7100-7110. sep 2018.\n \n\n\n\n
\n\n\n\n \n \n \"StructurePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Huang_2018,\n\tdoi = {10.1021/acs.chemmater.8b02944},\n\turl = {https://doi.org/10.1021/acs.chemmater.8b02944},\n\tyear = 2018,\n\tmonth = {sep},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {30},\n\tnumber = {20},\n\tpages = {7100-7110},\n\tauthor = {Liang-Feng Huang and Nathan Z. Koocher and Mingqiang Gu and James M. Rondinelli},\n\ttitle = {Structure Dependent Phase Stability and Thermal Expansion of Ruddlesden--Popper Strontium Titanates},\n\tjournal = {Chemistry of Materials}\n}\n\n%136\n
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\n \n\n \n \n \n \n Linear and nonlinear optical probe of the ferroelectric-like phase transition in a polar metal, LiOsO$_3$.\n \n \n\n\n \n Padmanabhan, H.; Park, Y.; Puggioni, D.; Yuan, Y.; Cao, Y.; Gasparov, L.; Shi, Y.; Chakhalian, J.; Rondinelli, J. M.; and Gopalan, V.\n\n\n \n\n\n\n Applied Physics Letters, 113(12): 122906. sep 2018.\n \n\n\n\n
\n\n\n\n \n \n \"LinearPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Padmanabhan_2018,\n\tdoi = {10.1063/1.5042769},\n\turl = {https://doi.org/10.1063/1.5042769},\n\tyear = 2018,\n\tmonth = {sep},\n\tpublisher = {{AIP} Publishing},\n\tvolume = {113},\n\tnumber = {12},\n\tpages = {122906},\n\tauthor = {Haricharan Padmanabhan and Yoonsang Park and Danilo Puggioni and Yakun Yuan and Yanwei Cao and Lev Gasparov and Youguo Shi and Jak Chakhalian and James M. Rondinelli and Venkatraman Gopalan},\n\ttitle = {{Linear and nonlinear optical probe of the ferroelectric-like phase transition in a polar metal, LiOsO$_3$}},\n\tjournal = {Applied Physics Letters}\n}\n\n%135\n
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\n \n\n \n \n \n \n Coupled Raman-Raman modes in the ionic Raman scattering process.\n \n \n\n\n \n Gu, M.; and Rondinelli, J. M.\n\n\n \n\n\n\n Applied Physics Letters, 113(11): 112903. sep 2018.\n \n\n\n\n
\n\n\n\n \n \n \"CoupledPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Gu_2018b,\n\tdoi = {10.1063/1.5048037},\n\turl = {https://doi.org/10.1063/1.5048037},\n\tyear = 2018,\n\tmonth = {sep},\n\tpublisher = {{AIP} Publishing},\n\tvolume = {113},\n\tnumber = {11},\n\tpages = {112903},\n\tauthor = {Mingqiang Gu and James M. Rondinelli},\n\ttitle = {Coupled Raman-Raman modes in the ionic Raman scattering process},\n\tjournal = {Applied Physics Letters}\n}\n\n%134\n
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\n \n\n \n \n \n \n Discovery of Cu$_3$Pb.\n \n \n\n\n \n Tamerius, A. D.; Clarke, S. M.; Gu, M.; Walsh, J. P. S.; Esters, M.; Meng, Y.; Hendon, C. H.; Rondinelli, J. M.; Jacobsen, S. D.; and Freedman, D. E.\n\n\n \n\n\n\n Angewandte Chemie, 130(39): 12991-12995. sep 2018.\n \n\n\n\n
\n\n\n\n \n \n \"DiscoveryPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Tamerius_2018,\n\tdoi = {10.1002/ange.201807934},\n\turl = {https://doi.org/10.1002/ange.201807934},\n\tyear = 2018,\n\tmonth = {sep},\n\tpublisher = {Wiley},\n\tvolume = {130},\n\tnumber = {39},\n\tpages = {12991-12995},\n\tauthor = {Alexandra D. Tamerius and Samantha M. Clarke and Mingqiang Gu and James P. S. Walsh and Marco Esters and Yue Meng and Christopher H. Hendon and James M. Rondinelli and Steven D. Jacobsen and Danna E. Freedman},\n\ttitle = {{Discovery of Cu$_3$Pb}},\n\tjournal = {Angewandte Chemie}\n}\n\n%133\n
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\n \n\n \n \n \n \n Learning from Correlations Based on Local Structure: Rare-Earth Nickelates Revisited.\n \n \n\n\n \n Wagner, N.; Puggioni, D.; and Rondinelli, J. M.\n\n\n \n\n\n\n Journal of Chemical Information and Modeling, 58(12): 2491-2501. aug 2018.\n \n\n\n\n
\n\n\n\n \n \n \"LearningPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Wagner_2018,\n\tdoi = {10.1021/acs.jcim.8b00411},\n\turl = {https://doi.org/10.1021/acs.jcim.8b00411},\n\tyear = 2018,\n\tmonth = {aug},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {58},\n\tnumber = {12},\n\tpages = {2491-2501},\n\tauthor = {Nicholas Wagner and Danilo Puggioni and James M. Rondinelli},\n\ttitle = {{Learning from Correlations Based on Local Structure: Rare-Earth Nickelates Revisited}},\n\tjournal = {Journal of Chemical Information and Modeling}\n}\n\n%132\n
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\n \n\n \n \n \n \n Effect of fluoropolymer composition on topochemical synthesis of SrMnO$_{3-δ}$F$_γ$ oxyfluoride films.\n \n \n\n\n \n Wang, J.; Shin, Y.; Arenholz, E.; Lefler, B. M.; Rondinelli, J. M.; and May, S. J.\n\n\n \n\n\n\n Physical Review Materials, 2(7): 073407. jul 2018.\n \n\n\n\n
\n\n\n\n \n \n \"EffectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Wang_2018,\n\tdoi = {10.1103/physrevmaterials.2.073407},\n\turl = {https://doi.org/10.1103/physrevmaterials.2.073407},\n\tyear = 2018,\n\tmonth = {jul},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {2},\n\tnumber = {7},\n\tpages = {073407},\n\tauthor = {Jiayi Wang and Yongjin Shin and Elke Arenholz and Benjamin M. Lefler and James M. Rondinelli and Steven J. May},\n\ttitle = {Effect of fluoropolymer composition on topochemical synthesis of SrMnO$_{3-\\delta}$F$_\\gamma$ oxyfluoride films},\n\tjournal = {Physical Review Materials}\n}\n\n%131\n
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\n \n\n \n \n \n \n The must-have and nice-to-have experimental and computational requirements for functional frequency doubling deep-UV crystals.\n \n \n\n\n \n Halasyamani, P. S.; and Rondinelli, J. M.\n\n\n \n\n\n\n Nature Communications, 9(1): 2972. jul 2018.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Halasyamani_2018,\n\tdoi = {10.1038/s41467-018-05411-1},\n\turl = {https://doi.org/10.1038/s41467-018-05411-1},\n\tyear = 2018,\n\tmonth = {jul},\n\tpublisher = {Springer Science and Business Media {LLC}},\n\tvolume = {9},\n\tnumber = {1},\n\tpages = {2972},\n\tauthor = {P. Shiv Halasyamani and James M. Rondinelli},\n\ttitle = {{The must-have and nice-to-have experimental and computational requirements for functional frequency doubling deep-{UV} crystals}},\n\tjournal = {Nature Communications}\n}\n\n%130\n
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\n \n\n \n \n \n \n Nonlinear phononic control and emergent magnetism in Mott insulating titanates.\n \n \n\n\n \n Gu, M.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review B, 98(2): 024102. jul 2018.\n \n\n\n\n
\n\n\n\n \n \n \"NonlinearPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Gu_2018a,\n\tdoi = {10.1103/physrevb.98.024102},\n\turl = {https://doi.org/10.1103/physrevb.98.024102},\n\tyear = 2018,\n\tmonth = {jul},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {98},\n\tnumber = {2},\n\tpages = {024102},\n\tauthor = {Mingqiang Gu and James M. Rondinelli},\n\ttitle = {Nonlinear phononic control and emergent magnetism in Mott insulating titanates},\n\tjournal = {Physical Review B}\n}\n\n%129\n
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\n \n\n \n \n \n \n Inducing spontaneous electric polarizations in double perovskite iodide superlattices for ferroelectric photovoltaic materials.\n \n \n\n\n \n Young, J.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review Materials, 2(6): 065406. jun 2018.\n \n\n\n\n
\n\n\n\n \n \n \"InducingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Young_2018,\n\tdoi = {10.1103/physrevmaterials.2.065406},\n\turl = {https://doi.org/10.1103/physrevmaterials.2.065406},\n\tyear = 2018,\n\tmonth = {jun},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {2},\n\tnumber = {6},\n\tpages = {065406},\n\tauthor = {Joshua Young and James M. Rondinelli},\n\ttitle = {{Inducing spontaneous electric polarizations in double perovskite iodide superlattices for ferroelectric photovoltaic materials}},\n\tjournal = {Physical Review Materials}\n}\n\n%128\n
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\n \n\n \n \n \n \n Understanding Chemical Bonding in Alloys and the Representation in Atomistic Simulations.\n \n \n\n\n \n Liu, J.; Tennessen, E.; Miao, J.; Huang, Y.; Rondinelli, J. M.; and Heinz, H.\n\n\n \n\n\n\n The Journal of Physical Chemistry C, 122(26): 14996-15009. may 2018.\n \n\n\n\n
\n\n\n\n \n \n \"UnderstandingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Liu_2018,\n\tdoi = {10.1021/acs.jpcc.8b01891},\n\turl = {https://doi.org/10.1021/acs.jpcc.8b01891},\n\tyear = 2018,\n\tmonth = {may},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {122},\n\tnumber = {26},\n\tpages = {14996-15009},\n\tauthor = {Juan Liu and Emrys Tennessen and Jianwei Miao and Yu Huang and James M. Rondinelli and Hendrik Heinz},\n\ttitle = {{Understanding Chemical Bonding in Alloys and the Representation in Atomistic Simulations}},\n\tjournal = {The Journal of Physical Chemistry C}\n}\n\n%127\n
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\n \n\n \n \n \n \n Tunable inversion symmetry to control indirect-to-direct band gaps transitions.\n \n \n\n\n \n Lu, X.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review Materials, 2(5): 054409. may 2018.\n \n\n\n\n
\n\n\n\n \n \n \"TunablePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Lu_2018,\n\tdoi = {10.1103/physrevmaterials.2.054409},\n\turl = {https://doi.org/10.1103/physrevmaterials.2.054409},\n\tyear = 2018,\n\tmonth = {may},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {2},\n\tnumber = {5},\n\tpages = {054409},\n\tauthor = {Xue-Zeng Lu and James M. Rondinelli},\n\ttitle = {Tunable inversion symmetry to control indirect-to-direct band gaps transitions},\n\tjournal = {Physical Review Materials}\n}\n\n%126\n
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\n \n\n \n \n \n \n Structural Diversity from Anion Order in Heteroanionic Materials.\n \n \n\n\n \n Charles, N.; Saballos, R. J.; and Rondinelli, J. M.\n\n\n \n\n\n\n Chemistry of Materials, 30(10): 3528-3537. apr 2018.\n \n\n\n\n
\n\n\n\n \n \n \"StructuralPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Charles_2018,\n\tdoi = {10.1021/acs.chemmater.8b01336},\n\turl = {https://doi.org/10.1021/acs.chemmater.8b01336},\n\tyear = 2018,\n\tmonth = {apr},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {30},\n\tnumber = {10},\n\tpages = {3528-3537},\n\tauthor = {Nenian Charles and Richard J. Saballos and James M. Rondinelli},\n\ttitle = {{Structural Diversity from Anion Order in Heteroanionic Materials}},\n\tjournal = {Chemistry of Materials}\n}\n\n%125\n
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\n \n\n \n \n \n \n Observation of Quasi-Two-Dimensional Polar Domains and Ferroelastic Switching in a Metal, Ca$_3$Ru$_2$O$_7$.\n \n \n\n\n \n Lei, S.; Gu, M.; Puggioni, D.; Stone, G.; Peng, J.; Ge, J.; Wang, Y.; Wang, B.; Yuan, Y.; Wang, K.; Mao, Z.; Rondinelli, J. M.; and Gopalan, V.\n\n\n \n\n\n\n Nano Letters, 18(5): 3088-3095. apr 2018.\n \n\n\n\n
\n\n\n\n \n \n \"ObservationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Lei_2018,\n\tdoi = {10.1021/acs.nanolett.8b00633},\n\turl = {https://doi.org/10.1021/acs.nanolett.8b00633},\n\tyear = 2018,\n\tmonth = {apr},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {18},\n\tnumber = {5},\n\tpages = {3088-3095},\n\tauthor = {Shiming Lei and Mingqiang Gu and Danilo Puggioni and Greg Stone and Jin Peng and Jianjian Ge and Yu Wang and Baoming Wang and Yakun Yuan and Ke Wang and Zhiqiang Mao and James M. Rondinelli and Venkatraman Gopalan},\n\ttitle = {{Observation of Quasi-Two-Dimensional Polar Domains and Ferroelastic Switching in a Metal, Ca$_3$Ru$_2$O$_7$}},\n\tjournal = {Nano Letters}\n}\n\n%124\n
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\n \n\n \n \n \n \n Localized Symmetry Breaking for Tuning Thermal Expansion in ScF$_3$ Nanoscale Frameworks.\n \n \n\n\n \n Hu, L.; Qin, F.; Sanson, A.; Huang, L.; Pan, Z.; Li, Q.; Sun, Q.; Wang, L.; Guo, F.; Aydemir, U.; Ren, Y.; Sun, C.; Deng, J.; Aquilanti, G.; Rondinelli, J. M.; Chen, J.; and Xing, X.\n\n\n \n\n\n\n Journal of the American Chemical Society, 140(13): 4477-4480. mar 2018.\n \n\n\n\n
\n\n\n\n \n \n \"LocalizedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Hu_2018,\n\tdoi = {10.1021/jacs.8b00885},\n\turl = {https://doi.org/10.1021/jacs.8b00885},\n\tyear = 2018,\n\tmonth = {mar},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {140},\n\tnumber = {13},\n\tpages = {4477-4480},\n\tauthor = {Lei Hu and Feiyu Qin and Andrea Sanson and Liang-Feng Huang and Zhao Pan and Qiang Li and Qiang Sun and Lu Wang and Fangmin Guo and Umut Aydemir and Yang Ren and Chengjun Sun and Jinxia Deng and Giuliana Aquilanti and James M. Rondinelli and Jun Chen and Xianran Xing},\n\ttitle = {{Localized Symmetry Breaking for Tuning Thermal Expansion in {ScF}$_3$ Nanoscale Frameworks}},\n\tjournal = {Journal of the American Chemical Society}\n}\n\n%123\n
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\n \n\n \n \n \n \n Crystal structure stability and electronic properties of the layered nickelate La$_{4}$Ni$_{3}$O$_{10}$.\n \n \n\n\n \n Puggioni, D.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review B, 97(11): 115116. mar 2018.\n \n\n\n\n
\n\n\n\n \n \n \"CrystalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Puggioni_2018,\n\tdoi = {10.1103/physrevb.97.115116},\n\turl = {https://doi.org/10.1103/physrevb.97.115116},\n\tyear = 2018,\n\tmonth = {mar},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {97},\n\tnumber = {11},\n\tpages = {115116},\n\tauthor = {Danilo Puggioni and James M. Rondinelli},\n\ttitle = {{Crystal structure stability and electronic properties of the layered nickelate La$_{4}$Ni$_{3}$O$_{10}$}},\n\tjournal = {Physical Review B}\n}\n\n%122\n
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\n \n\n \n \n \n \n Pb$_2B$O$_3$I: A Borate Iodide with the Largest Second-Harmonic Generation (SHG) Response in the KBe$_2$BO$_3$F$_2$ (KBBF) Family of Nonlinear Optical (NLO) Materials.\n \n \n\n\n \n Yu, H.; Koocher, N. Z.; Rondinelli, J. M.; and Halasyamani, P. S.\n\n\n \n\n\n\n Angewandte Chemie International Edition, 57(21): 6100-6103. mar 2018.\n \n\n\n\n
\n\n\n\n \n \n \"Pb$_2B$O$_3$I:Paper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Yu_2018,\n\tdoi = {10.1002/anie.201802079},\n\turl = {https://doi.org/10.1002/anie.201802079},\n\tyear = 2018,\n\tmonth = {mar},\n\tpublisher = {Wiley},\n\tvolume = {57},\n\tnumber = {21},\n\tpages = {6100-6103},\n\tauthor = {Hongwei Yu and Nathan Z. Koocher and James M. Rondinelli and P. Shiv Halasyamani},\n\ttitle = {{Pb$_2B$O$_3$I: A Borate Iodide with the Largest Second-Harmonic Generation (SHG) Response in the KBe$_2$BO$_3$F$_2$ (KBBF) Family of Nonlinear Optical (NLO) Materials}},\n\tjournal = {Angewandte Chemie International Edition}\n}\n\n%121\n
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\n \n\n \n \n \n \n Expanding frontiers in materials chemistry and physics with multiple anions.\n \n \n\n\n \n Kageyama, H.; Hayashi, K.; Maeda, K.; Attfield, J. P.; Hiroi, Z.; Rondinelli, J. M.; and Poeppelmeier, K. R.\n\n\n \n\n\n\n Nature Communications, 9(1): 772. feb 2018.\n \n\n\n\n
\n\n\n\n \n \n \"ExpandingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Kageyama_2018,\n\tdoi = {10.1038/s41467-018-02838-4},\n\turl = {https://doi.org/10.1038/s41467-018-02838-4},\n\tyear = 2018,\n\tmonth = {feb},\n\tpublisher = {Springer Science and Business Media {LLC}},\n\tvolume = {9},\n\tnumber = {1},\n\tpages={772},\n\tauthor = {Hiroshi Kageyama and Katsuro Hayashi and Kazuhiko Maeda and J. Paul Attfield and Zenji Hiroi and James M. Rondinelli and Kenneth R. Poeppelmeier},\n\ttitle = {Expanding frontiers in materials chemistry and physics with multiple anions},\n\tjournal = {Nature Communications}\n}\n\n%120\n
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\n \n\n \n \n \n \n Ferroelectric Sr$_3$Zr$_2$O$_7$: Competition between Hybrid Improper Ferroelectric and Antiferroelectric Mechanisms.\n \n \n\n\n \n Yoshida, S.; Fujita, K.; Akamatsu, H.; Hernandez, O.; Gupta, A. S.; Brown, F. G.; Padmanabhan, H.; Gibbs, A. S.; Kuge, T.; Tsuji, R.; Murai, S.; Rondinelli, J. M.; Gopalan, V.; and Tanaka, K.\n\n\n \n\n\n\n Advanced Functional Materials, 28(30): 1801856. may 2018.\n \n\n\n\n
\n\n\n\n \n \n \"FerroelectricPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Yoshida_2018,\n\tdoi = {10.1002/adfm.201801856},\n\turl = {https://doi.org/10.1002/adfm.201801856},\n\tyear = 2018,\n\tmonth = {may},\n\tpublisher = {Wiley},\n\tvolume = {28},\n\tnumber = {30},\n\tpages = {1801856},\n\tauthor = {Suguru Yoshida and Koji Fujita and Hirofumi Akamatsu and Olivier Hernandez and Arnab Sen Gupta and Forrest G. Brown and Haricharan Padmanabhan and Alexandra S. Gibbs and Toshihiro Kuge and Ryosuke Tsuji and Shunsuke Murai and James M. Rondinelli and Venkatraman Gopalan and Katsuhisa Tanaka},\n\ttitle = {{Ferroelectric Sr$_3$Zr$_2$O$_7$: Competition between Hybrid Improper Ferroelectric and Antiferroelectric Mechanisms}},\n\tjournal = {Advanced Functional Materials}\n}\n\n%119\n
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\n \n\n \n \n \n \n Tunable metal-insulator transition, Rashba effect and Weyl Fermions in a relativistic charge-ordered ferroelectric oxide.\n \n \n\n\n \n He, J.; Sante, D. D.; Li, R.; Chen, X.; Rondinelli, J. M.; and Franchini, C.\n\n\n \n\n\n\n Nature Communications, 9(1): 492. feb 2018.\n \n\n\n\n
\n\n\n\n \n \n \"TunablePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{He_2018,\n\tdoi = {10.1038/s41467-017-02814-4},\n\turl = {https://doi.org/10.1038/s41467-017-02814-4},\n\tyear = 2018,\n\tmonth = {feb},\n\tpublisher = {Springer Science and Business Media {LLC}},\n\tvolume = {9},\n\tnumber = {1},\n\tpages={492},\n\tauthor = {Jiangang He and Domenico Di Sante and Ronghan Li and Xing-Qiu Chen and James M. Rondinelli and Cesare Franchini},\n\ttitle = {{Tunable metal-insulator transition, Rashba effect and Weyl Fermions in a relativistic charge-ordered ferroelectric oxide}},\n\tjournal = {Nature Communications}\n}\n\n%118\n
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\n \n\n \n \n \n \n Electronic structure of negative charge transfer CaFeO$_{3}$ across the metal-insulator transition.\n \n \n\n\n \n Rogge, P. C.; Chandrasena, R. U.; Cammarata, A.; Green, R. J.; Shafer, P.; Lefler, B. M.; Huon, A.; Arab, A.; Arenholz, E.; Lee, H. N.; Lee, T.; Nemšák, S.; Rondinelli, J. M.; Gray, A. X.; and May, S. J.\n\n\n \n\n\n\n Physical Review Materials, 2(1): 015002. jan 2018.\n \n\n\n\n
\n\n\n\n \n \n \"ElectronicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Rogge_2018,\n\tdoi = {10.1103/physrevmaterials.2.015002},\n\turl = {https://doi.org/10.1103/physrevmaterials.2.015002},\n\tyear = 2018,\n\tmonth = {jan},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {2},\n\tnumber = {1},\n\tpages = {015002},\n\tauthor = {Paul C. Rogge and Ravini U. Chandrasena and Antonio Cammarata and Robert J. Green and Padraic Shafer and Benjamin M. Lefler and Amanda Huon and Arian Arab and Elke Arenholz and Ho Nyung Lee and Tien-Lin Lee and Slavom{\\'{\\i}}r Nem{\\v{s}}{\\'{a}}k and James M. Rondinelli and Alexander X. Gray and Steven J. May},\n\ttitle = {{Electronic structure of negative charge transfer CaFeO$_{3}$ across the metal-insulator transition}},\n\tjournal = {Physical Review Materials}\n}\n\n%117\n
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\n  \n 2017\n \n \n (15)\n \n \n
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\n \n\n \n \n \n \n The Next-Generation of Nonlinear Optical Materials: Rb$_3$Ba$_3$Li$_2$Al$_4B_6$O$_{20}$F—Synthesis, Characterization, and Crystal Growth.\n \n \n\n\n \n Yu, H.; Young, J.; Wu, H.; Zhang, W.; Rondinelli, J. M.; and Halasyamani, S.\n\n\n \n\n\n\n Advanced Optical Materials, 5(23): 1700840. oct 2017.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Yu_2017b,\n\tdoi = {10.1002/adom.201700840},\n\turl = {https://doi.org/10.1002/adom.201700840},\n\tyear = 2017,\n\tmonth = {oct},\n\tpublisher = {Wiley},\n\tvolume = {5},\n\tnumber = {23},\n\tpages = {1700840},\n\tauthor = {Hongwei Yu and Joshua Young and Hongping Wu and Weiguo Zhang and James M. Rondinelli and Shiv Halasyamani},\n\ttitle = {{The Next-Generation of Nonlinear Optical Materials: Rb$_3$Ba$_3$Li$_2$Al$_4B_6$O$_{20}$F---Synthesis, Characterization, and Crystal Growth}},\n\tjournal = {Advanced Optical Materials}\n}\n\n%116\n
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\n \n\n \n \n \n \n Stable MoSi$_2$ nanofilms with controllable and high metallicity.\n \n \n\n\n \n Huang, L.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review Materials, 1(6): 063001. nov 2017.\n \n\n\n\n
\n\n\n\n \n \n \"StablePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Huang_2017b,\n\tdoi = {10.1103/physrevmaterials.1.063001},\n\turl = {https://doi.org/10.1103/physrevmaterials.1.063001},\n\tyear = 2017,\n\tmonth = {nov},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {1},\n\tnumber = {6},\n\tpages = {063001},\n\tauthor = {Liang-Feng Huang and James M. Rondinelli},\n\ttitle = {{Stable MoSi$_2$ nanofilms with controllable and high metallicity}},\n\tjournal = {Physical Review Materials}\n}\n\n%115\n
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\n \n\n \n \n \n \n Tunable band structures in digital oxides with layered crystal habits.\n \n \n\n\n \n Shin, Y.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review B, 96(19): 195108. nov 2017.\n \n\n\n\n
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@article{Shin_2017,\n\tdoi = {10.1103/physrevb.96.195108},\n\turl = {https://doi.org/10.1103/physrevb.96.195108},\n\tyear = 2017,\n\tmonth = {nov},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {96},\n\tnumber = {19},\n\tpages = {195108},\n\tauthor = {Yongjin Shin and James M. Rondinelli},\n\ttitle = {Tunable band structures in digital oxides with layered crystal habits},\n\tjournal = {Physical Review B}\n}\n\n%114\n
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\n \n\n \n \n \n \n Electrochemical phase diagrams of Ni from \\emphab initio simulations: role of exchange interactions on accuracy.\n \n \n\n\n \n Huang, L.; and Rondinelli, J. M\n\n\n \n\n\n\n Journal of Physics: Condensed Matter, 29(47): 475501. oct 2017.\n \n\n\n\n
\n\n\n\n \n \n \"ElectrochemicalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Huang_2017a,\n\tdoi = {10.1088/1361-648x/aa9140},\n\turl = {https://doi.org/10.1088/1361-648x/aa9140},\n\tyear = 2017,\n\tmonth = {oct},\n\tpublisher = {{IOP} Publishing},\n\tvolume = {29},\n\tnumber = {47},\n\tpages = {475501},\n\tauthor = {Liang-Feng Huang and James M Rondinelli},\n\ttitle = {{Electrochemical phase diagrams of Ni from \\emph{ab initio} simulations: role of exchange interactions on accuracy}},\n\tjournal = {Journal of Physics: Condensed Matter}\n}\n\n%113\n
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\n \n\n \n \n \n \n $A$-Site Ordered Double Perovskite CaMnTi$_2$O$_3$ as a Multifunctional Piezoelectric and Ferroelectric–Photovoltaic Material.\n \n \n\n\n \n Gou, G.; Charles, N.; Shi, J.; and Rondinelli, J. M.\n\n\n \n\n\n\n Inorganic Chemistry, 56(19): 11854-11861. sep 2017.\n \n\n\n\n
\n\n\n\n \n \n \"$A$-SitePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Gou_2017,\n\tdoi = {10.1021/acs.inorgchem.7b01854},\n\turl = {https://doi.org/10.1021/acs.inorgchem.7b01854},\n\tyear = 2017,\n\tmonth = {sep},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {56},\n\tnumber = {19},\n\tpages = {11854-11861},\n\tauthor = {Gaoyang Gou and Nenian Charles and Jing Shi and James M. Rondinelli},\n\ttitle = {{$A$-Site Ordered Double Perovskite CaMnTi$_2$O$_3$ as a Multifunctional Piezoelectric and Ferroelectric--Photovoltaic Material}},\n\tjournal = {Inorganic Chemistry}\n}\n\n%112\n
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\n \n\n \n \n \n \n Role of 2D and 3D defects on the reduction of LaNiO$_3$ nanoparticles for catalysis.\n \n \n\n\n \n Singh, S.; Prestat, E.; Huang, L.; Rondinelli, J. M.; Haigh, S. J.; and Rosen, B. A.\n\n\n \n\n\n\n Scientific Reports, 7(1): 10080. aug 2017.\n \n\n\n\n
\n\n\n\n \n \n \"RolePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Singh_2017,\n\tdoi = {10.1038/s41598-017-10703-5},\n\turl = {https://doi.org/10.1038/s41598-017-10703-5},\n\tyear = 2017,\n\tmonth = {aug},\n\tpublisher = {Springer Science and Business Media {LLC}},\n\tvolume = {7},\n\tnumber = {1},\n\tpages = {10080},\n\tauthor = {Sarika Singh and Eric Prestat and Liang-Feng Huang and James M. Rondinelli and Sarah J. Haigh and Brian A. Rosen},\n\ttitle = {{Role of 2D and 3D defects on the reduction of LaNiO$_3$ nanoparticles for catalysis}},\n\tjournal = {Scientific Reports}\n}\n\n%111\n
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\n \n\n \n \n \n \n Interface-induced phenomena in magnetism.\n \n \n\n\n \n Hellman, F.; Hoffmann, A.; Tserkovnyak, Y.; Beach, G. S. D.; Fullerton, E. E.; Leighton, C.; MacDonald, A. H.; Ralph, D. C.; Arena, D. A.; Dürr, H. A.; Fischer, P.; Grollier, J.; Heremans, J. P.; Jungwirth, T.; Kimel, A. V.; Koopmans, B.; Krivorotov, I. N.; May, S. J.; Petford-Long, A. K.; Rondinelli, J. M.; Samarth, N.; Schuller, I. K.; Slavin, A. N.; Stiles, M. D.; Tchernyshyov, O.; Thiaville, A.; and Zink, B. L.\n\n\n \n\n\n\n Reviews of Modern Physics, 89(2): 025006. jun 2017.\n \n\n\n\n
\n\n\n\n \n \n \"Interface-inducedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Hellman_2017,\n\tdoi = {10.1103/revmodphys.89.025006},\n\turl = {https://doi.org/10.1103/revmodphys.89.025006},\n\tyear = 2017,\n\tmonth = {jun},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {89},\n\tnumber = {2},\n\tpages = {025006},\n\tauthor = {Frances Hellman and Axel Hoffmann and Yaroslav Tserkovnyak and Geoffrey S. D. Beach and Eric E. Fullerton and Chris Leighton and Allan H. MacDonald and Daniel C. Ralph and Dario A. Arena and Hermann A. Dürr and Peter Fischer and Julie Grollier and Joseph P. Heremans and Tomas Jungwirth and Alexey V. Kimel and Bert Koopmans and Ilya N. Krivorotov and Steven J. May and Amanda K. Petford-Long and James M. Rondinelli and Nitin Samarth and Ivan K. Schuller and Andrei N. Slavin and Mark D. Stiles and Oleg Tchernyshyov and Andr{\\'{e}} Thiaville and Barry L. Zink},\n\ttitle = {I{nterface-induced phenomena in magnetism}},\n\tjournal = {Reviews of Modern Physics}\n}\n\n%110\n
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\n \n\n \n \n \n \n Room Temperature Electric-Field Control of Magnetism in Layered Oxides with Cation Order.\n \n \n\n\n \n Lu, X.; and Rondinelli, J. M.\n\n\n \n\n\n\n Advanced Functional Materials, 27(4): 1604312. dec 2017.\n \n\n\n\n
\n\n\n\n \n \n \"RoomPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Lu_2016b,\n\tdoi = {10.1002/adfm.201604312},\n\turl = {https://doi.org/10.1002/adfm.201604312},\n\tyear = 2017,\n\tmonth = {dec},\n\tpublisher = {Wiley},\n\tvolume = {27},\n\tnumber = {4},\n\tpages = {1604312},\n\tauthor = {Xue-Zeng Lu and James M. Rondinelli},\n\ttitle = {{Room Temperature Electric-Field Control of Magnetism in Layered Oxides with Cation Order}},\n\tjournal = {Advanced Functional Materials}\n}\n\n%109\n
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\n \n\n \n \n \n \n Mixed-Metal Carbonate Fluorides as Deep-Ultraviolet Nonlinear Optical Materials.\n \n \n\n\n \n Tran, T. T.; Young, J.; Rondinelli, J. M.; and Halasyamani, P. S.\n\n\n \n\n\n\n Journal of the American Chemical Society, 139(3): 1285-1295. jan 2017.\n \n\n\n\n
\n\n\n\n \n \n \"Mixed-MetalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Tran_2017b,\n\tdoi = {10.1021/jacs.6b11965},\n\turl = {https://doi.org/10.1021/jacs.6b11965},\n\tyear = 2017,\n\tmonth = {jan},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {139},\n\tnumber = {3},\n\tpages = {1285-1295},\n\tauthor = {T. Thao Tran and Joshua Young and James M. Rondinelli and P. Shiv Halasyamani},\n\ttitle = {{Mixed-Metal Carbonate Fluorides as Deep-Ultraviolet Nonlinear Optical Materials}},\n\tjournal = {Journal of the American Chemical Society}\n}\n\n%108\n
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\n \n\n \n \n \n \n Role of orbital filling on nonlinear ionic Raman scattering in perovskite titanates.\n \n \n\n\n \n Gu, M.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review B, 95(2): 024109. jan 2017.\n \n\n\n\n
\n\n\n\n \n \n \"RolePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Gu_2017,\n\tdoi = {10.1103/physrevb.95.024109},\n\turl = {https://doi.org/10.1103/physrevb.95.024109},\n\tyear = 2017,\n\tmonth = {jan},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {95},\n\tnumber = {2},\n\tpages = {024109},\n\tauthor = {Mingqiang Gu and James M. Rondinelli},\n\ttitle = {Role of orbital filling on nonlinear ionic Raman scattering in perovskite titanates},\n\tjournal = {Physical Review B}\n}\n\n%107\n
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\n \n\n \n \n \n \n Beryllium-Free $β$-Rb$_2$Al$_2B_2$O$_7$ as a Possible Deep-Ultraviolet Nonlinear Optical Material Replacement for KBe$_2B$O$_3$F$_2$.\n \n \n\n\n \n Tran, T. T.; Koocher, N. Z.; Rondinelli, J. M.; and Halasyamani, P. S.\n\n\n \n\n\n\n Angewandte Chemie International Edition, 56(11): 2969-2973. jan 2017.\n \n\n\n\n
\n\n\n\n \n \n \"Beryllium-FreePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Tran_2017a,\n\tdoi = {10.1002/anie.201612236},\n\turl = {https://doi.org/10.1002/anie.201612236},\n\tyear = 2017,\n\tmonth = {jan},\n\tpublisher = {Wiley},\n\tvolume = {56},\n\tnumber = {11},\n\tpages = {2969-2973},\n\tauthor = {T. Thao Tran and Nathan Z. Koocher and James M. Rondinelli and P. Shiv Halasyamani},\n\ttitle = {{Beryllium-Free $\\beta$-Rb$_2$Al$_2B_2$O$_7$ as a Possible Deep-Ultraviolet Nonlinear Optical Material Replacement for KBe$_2B$O$_3$F$_2$}},\n\tjournal = {Angewandte Chemie International Edition}\n}\n\n%106\n
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\n \n\n \n \n \n \n $M_4$Mg$_4$(P$_2$O$_7$)$_3$ ($M$ = K, Rb): Structural Engineering of Pyrophosphates for Nonlinear Optical Applications.\n \n \n\n\n \n Yu, H.; Young, J.; Wu, H.; Zhang, W.; Rondinelli, J. M.; and Halasyamani, P. S.\n\n\n \n\n\n\n Chemistry of Materials, 29(4): 1845-1855. feb 2017.\n \n\n\n\n
\n\n\n\n \n \n \"$M_4$Mg$_4$(P$_2$O$_7$)$_3$Paper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Yu_2017a,\n\tdoi = {10.1021/acs.chemmater.7b00167},\n\turl = {https://doi.org/10.1021/acs.chemmater.7b00167},\n\tyear = 2017,\n\tmonth = {feb},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {29},\n\tnumber = {4},\n\tpages = {1845-1855},\n\tauthor = {Hongwei Yu and Joshua Young and Hongping Wu and Weiguo Zhang and James M. Rondinelli and P. Shiv Halasyamani},\n\ttitle = {{$M_4$Mg$_4$(P$_2$O$_7$)$_3$ ($M$ = K, Rb): Structural Engineering of Pyrophosphates for Nonlinear Optical Applications}},\n\tjournal = {Chemistry of Materials}\n}\n\n%105\n
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\n \n\n \n \n \n \n Polar Oxides without Inversion Symmetry through Vacancy and Chemical Order.\n \n \n\n\n \n Young, J.; Moon, E. J.; Mukherjee, D.; Stone, G.; Gopalan, V.; Alem, N.; May, S. J.; and Rondinelli, J. M.\n\n\n \n\n\n\n Journal of the American Chemical Society, 139(7): 2833-2841. feb 2017.\n \n\n\n\n
\n\n\n\n \n \n \"PolarPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Young_2017,\n\tdoi = {10.1021/jacs.6b10697},\n\turl = {https://doi.org/10.1021/jacs.6b10697},\n\tyear = 2017,\n\tmonth = {feb},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {139},\n\tnumber = {7},\n\tpages = {2833-2841},\n\tauthor = {Joshua Young and Eun Ju Moon and Debangshu Mukherjee and Greg Stone and Venkatraman Gopalan and Nasim Alem and Steven J. May and James M. Rondinelli},\n\ttitle = {{Polar Oxides without Inversion Symmetry through Vacancy and Chemical Order}},\n\tjournal = {Journal of the American Chemical Society}\n}\n\n%104\n
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\n \n\n \n \n \n \n Learning from data to design functional materials without inversion symmetry.\n \n \n\n\n \n Balachandran, P. V.; Young, J.; Lookman, T.; and Rondinelli, J. M.\n\n\n \n\n\n\n Nature Communications, 8(1): 14282. feb 2017.\n \n\n\n\n
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@article{Balachandran_2017,\n\tdoi = {10.1038/ncomms14282},\n\turl = {https://doi.org/10.1038/ncomms14282},\n\tyear = 2017,\n\tmonth = {feb},\n\tpublisher = {Springer Science and Business Media {LLC}},\n\tvolume = {8},\n\tnumber = {1},\n\tpages = {14282},\n\tauthor = {Prasanna V. Balachandran and Joshua Young and Turab Lookman and James M. Rondinelli},\n\ttitle = {Learning from data to design functional materials without inversion symmetry},\n\tjournal = {Nature Communications}\n}\n\n%103\n
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\n \n\n \n \n \n \n Improved Electrochemical Phase Diagrams from Theory and Experiment: The Ni–Water System and Its Complex Compounds.\n \n \n\n\n \n Huang, L.; Hutchison, M. J.; Santucci, R. J.; Scully, J. R.; and Rondinelli, J. M.\n\n\n \n\n\n\n The Journal of Physical Chemistry C, 121(18): 9782-9789. may 2017.\n \n\n\n\n
\n\n\n\n \n \n \"ImprovedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Huang_2017,\n\tdoi = {10.1021/acs.jpcc.7b02771},\n\turl = {https://doi.org/10.1021/acs.jpcc.7b02771},\n\tyear = 2017,\n\tmonth = {may},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {121},\n\tnumber = {18},\n\tpages = {9782-9789},\n\tauthor = {L.-F. Huang and M. J. Hutchison and R. J. Santucci and J. R. Scully and J. M. Rondinelli},\n\ttitle = {{Improved Electrochemical Phase Diagrams from Theory and Experiment: The Ni--Water System and Its Complex Compounds}},\n\tjournal = {The Journal of Physical Chemistry C}\n}\n\n%102\n
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\n \n\n \n \n \n \n Electronic Structure and Band Gap of Fullerenes on Tungsten Surfaces: Transition from a Semiconductor to a Metal Triggered by Annealing.\n \n \n\n\n \n Monazami, E.; McClimon, J. B.; Rondinelli, J.; and Reinke, P.\n\n\n \n\n\n\n ACS Applied Materials & Interfaces, 8(50): 34854-34862. dec 2016.\n \n\n\n\n
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@article{Monazami_2016,\n\tdoi = {10.1021/acsami.6b10813},\n\turl = {https://doi.org/10.1021/acsami.6b10813},\n\tyear = 2016,\n\tmonth = {dec},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {8},\n\tnumber = {50},\n\tpages = {34854-34862},\n\tauthor = {Ehsan Monazami and John B. McClimon and James Rondinelli and Petra Reinke},\n\ttitle = {{Electronic Structure and Band Gap of Fullerenes on Tungsten Surfaces: Transition from a Semiconductor to a Metal Triggered by Annealing}},\n\tjournal = {{ACS} Applied Materials {\\&} Interfaces}\n}\n\n%101\n
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\n \n\n \n \n \n \n Assessing exchange-correlation functional performance for structure and property predictions of oxyfluoride compounds from first principles.\n \n \n\n\n \n Charles, N.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review B, 94(17): 174108. nov 2016.\n \n\n\n\n
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@article{Charles_2016,\n\tdoi = {10.1103/physrevb.94.174108},\n\turl = {https://doi.org/10.1103/physrevb.94.174108},\n\tyear = 2016,\n\tmonth = {nov},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {94},\n\tnumber = {17},\n\tpages = {174108},\n\tauthor = {Nenian Charles and James M. Rondinelli},\n\ttitle = {Assessing exchange-correlation functional performance for structure and property predictions of oxyfluoride compounds from first principles},\n\tjournal = {Physical Review B}\n}\n\n%100\n
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\n \n\n \n \n \n \n Magnetoelectric coupling in the type-I multiferroic ScFeO$_3$.\n \n \n\n\n \n Giovannetti, G.; Puggioni, D.; Barone, P.; Picozzi, S.; Rondinelli, J. M.; and Capone, M.\n\n\n \n\n\n\n Physical Review B, 94(19): 195116. nov 2016.\n \n\n\n\n
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@article{Giovannetti_2016b,\n\tdoi = {10.1103/physrevb.94.195116},\n\turl = {https://doi.org/10.1103/physrevb.94.195116},\n\tyear = 2016,\n\tmonth = {nov},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {94},\n\tnumber = {19},\n\tpages = {195116},\n\tauthor = {G. Giovannetti and D. Puggioni and P. Barone and S. Picozzi and J. M. Rondinelli and M. Capone},\n\ttitle = {{Magnetoelectric coupling in the type-I multiferroic ScFeO$_3$}},\n\tjournal = {Physical Review B}\n}\n\n%99\n
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\n \n\n \n \n \n \n Ferroelectric Oxides with Strong Visible-Light Absorption from Charge Ordering.\n \n \n\n\n \n He, J.; Franchini, C.; and Rondinelli, J. M.\n\n\n \n\n\n\n Chemistry of Materials, 29(6): 2445-2451. nov 2016.\n \n\n\n\n
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@article{He_2016,\n\tdoi = {10.1021/acs.chemmater.6b03486},\n\turl = {https://doi.org/10.1021/acs.chemmater.6b03486},\n\tyear = 2016,\n\tmonth = {nov},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {29},\n\tnumber = {6},\n\tpages = {2445-2451},\n\tauthor = {Jiangang He and Cesare Franchini and James M. Rondinelli},\n\ttitle = {{Ferroelectric Oxides with Strong Visible-Light Absorption from Charge Ordering}},\n\tjournal = {Chemistry of Materials}\n}\n\n%98\n
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\n \n\n \n \n \n \n Interplay of Cation Ordering and Ferroelectricity in Perovskite Tin Iodides: Designing a Polar Halide Perovskite for Photovoltaic Applications.\n \n \n\n\n \n Gou, G.; Young, J.; Liu, X.; and Rondinelli, J. M.\n\n\n \n\n\n\n Inorganic Chemistry, 56(1): 26-32. sep 2016.\n \n\n\n\n
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@article{Gou_2016,\n\tdoi = {10.1021/acs.inorgchem.6b01701},\n\turl = {https://doi.org/10.1021/acs.inorgchem.6b01701},\n\tyear = 2016,\n\tmonth = {sep},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {56},\n\tnumber = {1},\n\tpages = {26-32},\n\tauthor = {Gaoyang Gou and Joshua Young and Xian Liu and James M. Rondinelli},\n\ttitle = {{Interplay of Cation Ordering and Ferroelectricity in Perovskite Tin Iodides: Designing a Polar Halide Perovskite for Photovoltaic Applications}},\n\tjournal = {Inorganic Chemistry}\n}\n\n%97\n
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\n \n\n \n \n \n \n Tunable Negative Thermal Expansion in Layered Perovskites from Quasi-Two-Dimensional Vibrations.\n \n \n\n\n \n Huang, L.; Lu, X.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review Letters, 117(11): 115901. sep 2016.\n \n\n\n\n
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@article{Huang_2016b,\n\tdoi = {10.1103/physrevlett.117.115901},\n\turl = {https://doi.org/10.1103/physrevlett.117.115901},\n\tyear = 2016,\n\tmonth = {sep},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {117},\n\tnumber = {11},\n\tpages = {115901},\n\tauthor = {Liang-Feng Huang and Xue-Zeng Lu and James M. Rondinelli},\n\ttitle = {{Tunable Negative Thermal Expansion in Layered Perovskites from Quasi-Two-Dimensional Vibrations}},\n\tjournal = {Physical Review Letters}\n}\n\n%96\n
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\n \n\n \n \n \n \n Reconstructive Transitions from Rotations of Rigid Heteroanionic Polyhedra.\n \n \n\n\n \n Holland, M.; Charles, N.; Rondinelli, J. M.; and Poeppelmeier, K. R.\n\n\n \n\n\n\n Journal of the American Chemical Society, 138(36): 11882-11889. aug 2016.\n \n\n\n\n
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@article{Holland_2016,\n\tdoi = {10.1021/jacs.6b06813},\n\turl = {https://doi.org/10.1021/jacs.6b06813},\n\tyear = 2016,\n\tmonth = {aug},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {138},\n\tnumber = {36},\n\tpages = {11882-11889},\n\tauthor = {Michael Holland and Nenian Charles and James M. Rondinelli and Kenneth R. Poeppelmeier},\n\ttitle = {{Reconstructive Transitions from Rotations of Rigid Heteroanionic Polyhedra}},\n\tjournal = {Journal of the American Chemical Society}\n}\n\n%95\n
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\n \n\n \n \n \n \n Deep Ultraviolet Nonlinear Optical Materials.\n \n \n\n\n \n Tran, T. T.; Yu, H.; Rondinelli, J. M.; Poeppelmeier, K. R.; and Halasyamani, P. S.\n\n\n \n\n\n\n Chemistry of Materials, 28(15): 5238-5258. jul 2016.\n \n\n\n\n
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@article{Tran_2016,\n\tdoi = {10.1021/acs.chemmater.6b02366},\n\turl = {https://doi.org/10.1021/acs.chemmater.6b02366},\n\tyear = 2016,\n\tmonth = {jul},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {28},\n\tnumber = {15},\n\tpages = {5238-5258},\n\tauthor = {T. Thao Tran and Hongwei Yu and James M. Rondinelli and Kenneth R. Poeppelmeier and P. Shiv Halasyamani},\n\ttitle = {{Deep Ultraviolet Nonlinear Optical Materials}},\n\tjournal = {Chemistry of Materials}\n}\n\n%94\n
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\n \n\n \n \n \n \n Theory-Guided Machine Learning in Materials Science.\n \n \n\n\n \n Wagner, N.; and Rondinelli, J. M.\n\n\n \n\n\n\n Frontiers in Materials, 3: 28. jun 2016.\n \n\n\n\n
\n\n\n\n \n \n \"Theory-GuidedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n  \n \n 1 download\n \n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Wagner_2016,\n\tdoi = {10.3389/fmats.2016.00028},\n\turl = {https://doi.org/10.3389/fmats.2016.00028},\n\tyear = 2016,\n\tmonth = {jun},\n\tpublisher = {Frontiers Media {SA}},\n\tvolume = {3},\n\tpages = {28},\n\tauthor = {Nicholas Wagner and James M. Rondinelli},\n\ttitle = {Theory-Guided Machine Learning in Materials Science},\n\tjournal = {Frontiers in Materials}\n}\n\n%93\n
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\n \n\n \n \n \n \n Epitaxial-strain-induced polar-to-nonpolar transitions in layered oxides.\n \n \n\n\n \n Lu, X.; and Rondinelli, J. M.\n\n\n \n\n\n\n Nature Materials, 15(9): 951-955. jun 2016.\n \n\n\n\n
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@article{Lu_2016,\n\tdoi = {10.1038/nmat4664},\n\turl = {https://doi.org/10.1038/nmat4664},\n\tyear = 2016,\n\tmonth = {jun},\n\tpublisher = {Springer Science and Business Media {LLC}},\n\tvolume = {15},\n\tnumber = {9},\n\tpages = {951-955},\n\tauthor = {Xue-Zeng Lu and James M. Rondinelli},\n\ttitle = {Epitaxial-strain-induced polar-to-nonpolar transitions in layered oxides},\n\tjournal = {Nature Materials}\n}\n\n%92\n
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\n \n\n \n \n \n \n Informatics-Based Approaches for Accelerated Discovery of Functional Materials.\n \n \n\n\n \n Balachandran, P. V.; and Rondinelli, J. M.\n\n\n \n\n\n\n In Datta, S.; and Davim, J. P., editor(s), Computational Approaches to Materials Design: Theoretical and Practical Aspects, 7, pages 192-223. IGI Global, 2016.\n \n\n\n\n
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@incollection{Balachandran_2016b,\n\tdoi = {10.4018/978-1-5225-0290-6.ch007},\n\turl = {https://doi.org/10.4018/978-1-5225-0290-6.ch007},\n\tyear = 2016,\n\tpublisher = {{IGI} Global},\n\tpages = {192-223},\n\tchapter = {7},\n\tauthor = {P. V. Balachandran and J. M. Rondinelli},\n\ttitle = {{Informatics-Based Approaches for Accelerated Discovery of Functional Materials}},\n\tbooktitle = {{Computational Approaches to Materials Design: Theoretical and Practical Aspects}},\n\teditor = {Datta, Shubhabrata and Davim, J. Paulo},\n}\n\n%91\n
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\n \n\n \n \n \n \n Correction: Design of noncentrosymmetric perovskites from centric and acentric basic building units.\n \n \n\n\n \n Young, J.; Lalkiya, P.; and Rondinelli, J. M.\n\n\n \n\n\n\n Journal of Materials Chemistry C, 4(24): 5864-5864. 2016.\n \n\n\n\n
\n\n\n\n \n \n \"Correction:Paper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Young_2016b,\n\tdoi = {10.1039/c6tc90107g},\n\turl = {https://doi.org/10.1039/c6tc90107g},\n\tyear = 2016,\n\tpublisher = {Royal Society of Chemistry ({RSC})},\n\tvolume = {4},\n\tnumber = {24},\n\tpages = {5864-5864},\n\tauthor = {Joshua Young and Parth Lalkiya and James M. Rondinelli},\n\ttitle = {{Correction: Design of noncentrosymmetric perovskites from centric and acentric basic building units}},\n\tjournal = {Journal of Materials Chemistry C}\n}\n\n%90\n
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\n \n\n \n \n \n \n Microscopic interactions governing phase matchability in nonlinear optical materials.\n \n \n\n\n \n Cammarata, A.; and Rondinelli, J.\n\n\n \n\n\n\n Journal of Materials Chemistry C, 4(24): 5858-5863. 2016.\n \n\n\n\n
\n\n\n\n \n \n \"MicroscopicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Cammarata_2016b,\n\tdoi = {10.1039/c6tc01633b},\n\turl = {https://doi.org/10.1039/c6tc01633b},\n\tyear = 2016,\n\tpublisher = {Royal Society of Chemistry ({RSC})},\n\tvolume = {4},\n\tnumber = {24},\n\tpages = {5858-5863},\n\tauthor = {Antonio Cammarata and James Rondinelli},\n\ttitle = {Microscopic interactions governing phase matchability in nonlinear optical materials},\n\tjournal = {Journal of Materials Chemistry C}\n}\n\n%89\n
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\n \n\n \n \n \n \n Electronic doping of transition metal oxide perovskites.\n \n \n\n\n \n Cammarata, A.; and Rondinelli, J. M.\n\n\n \n\n\n\n Applied Physics Letters, 108(21): 213109. may 2016.\n \n\n\n\n
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@article{Cammarata_2016a,\n\tdoi = {10.1063/1.4953041},\n\turl = {https://doi.org/10.1063/1.4953041},\n\tyear = 2016,\n\tmonth = {may},\n\tpublisher = {{AIP} Publishing},\n\tvolume = {108},\n\tnumber = {21},\n\tpages = {213109},\n\tauthor = {Antonio Cammarata and James M. Rondinelli},\n\ttitle = {Electronic doping of transition metal oxide perovskites},\n\tjournal = {Applied Physics Letters}\n}\n\n%88\n
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\n \n\n \n \n \n \n Domain topology and domain switching kinetics in a hybrid improper ferroelectric.\n \n \n\n\n \n Huang, F. -.; Xue, F.; Gao, B.; Wang, L. H.; Luo, X.; Cai, W.; Lu, X. -.; Rondinelli, J. M.; Chen, L. Q.; and Cheong, S. -.\n\n\n \n\n\n\n Nature Communications, 7(1): 11602. may 2016.\n \n\n\n\n
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@article{Huang_2016a,\n\tdoi = {10.1038/ncomms11602},\n\turl = {https://doi.org/10.1038/ncomms11602},\n\tyear = 2016,\n\tmonth = {may},\n\tpublisher = {Springer Science and Business Media {LLC}},\n\tvolume = {7},\n\tnumber = {1},\n\tpages = {11602},\n\tauthor = {F. -T. Huang and F. Xue and B. Gao and L. H. Wang and X. Luo and W. Cai and X. -Z. Lu and J. M. Rondinelli and L. Q. Chen and S. -W. Cheong},\n\ttitle = {Domain topology and domain switching kinetics in a hybrid improper ferroelectric},\n\tjournal = {Nature Communications}\n}\n\n%87\n
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\n \n\n \n \n \n \n Polar metals by geometric design.\n \n \n\n\n \n Kim, T. H.; Puggioni, D.; Yuan, Y.; Xie, L.; Zhou, H.; Campbell, N.; Ryan, P. J.; Choi, Y.; Kim, J.; Patzner, J. R.; Ryu, S.; Podkaminer, J. P.; Irwin, J.; Ma, Y.; Fennie, C. J.; Rzchowski, M. S.; Pan, X. Q.; Gopalan, V.; Rondinelli, J. M.; and Eom, C. B.\n\n\n \n\n\n\n Nature, 533(7601): 68-72. apr 2016.\n \n\n\n\n
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@article{Kim_2016,\n\tdoi = {10.1038/nature17628},\n\turl = {https://doi.org/10.1038/nature17628},\n\tyear = 2016,\n\tmonth = {apr},\n\tpublisher = {Springer Science and Business Media {LLC}},\n\tvolume = {533},\n\tnumber = {7601},\n\tpages = {68-72},\n\tauthor = {T. H. Kim and D. Puggioni and Y. Yuan and L. Xie and H. Zhou and N. Campbell and P. J. Ryan and Y. Choi and J.-W. Kim and J. R. Patzner and S. Ryu and J. P. Podkaminer and J. Irwin and Y. Ma and C. J. Fennie and M. S. Rzchowski and X. Q. Pan and V. Gopalan and J. M. Rondinelli and C. B. Eom},\n\ttitle = {Polar metals by geometric design},\n\tjournal = {Nature}\n}\n\n%86\n
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\n \n\n \n \n \n \n Ultrafast Band Engineering and Transient Spin Currents in Antiferromagnetic Oxides.\n \n \n\n\n \n Gu, M.; and Rondinelli, J. M.\n\n\n \n\n\n\n Scientific Reports, 6(1): 25121. apr 2016.\n \n\n\n\n
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@article{Gu_2016,\n\tdoi = {10.1038/srep25121},\n\turl = {https://doi.org/10.1038/srep25121},\n\tyear = 2016,\n\tmonth = {apr},\n\tpublisher = {Springer Science and Business Media {LLC}},\n\tvolume = {6},\n\tnumber = {1},\n\tpages = {25121},\n\tauthor = {Mingqiang Gu and James M. Rondinelli},\n\ttitle = {{Ultrafast Band Engineering and Transient Spin Currents in Antiferromagnetic Oxides}},\n\tjournal = {Scientific Reports}\n}\n\n%85\n
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\n \n\n \n \n \n \n An efficient ab-initio quasiharmonic approach for the thermodynamics of solids.\n \n \n\n\n \n Huang, L.; Lu, X.; Tennessen, E.; and Rondinelli, J. M.\n\n\n \n\n\n\n Computational Materials Science, 120: 84-93. jul 2016.\n \n\n\n\n
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@article{Huang_2016,\n\tdoi = {10.1016/j.commatsci.2016.04.012},\n\turl = {https://doi.org/10.1016/j.commatsci.2016.04.012},\n\tyear = 2016,\n\tmonth = {jul},\n\tpublisher = {Elsevier {BV}},\n\tvolume = {120},\n\tpages = {84-93},\n\tauthor = {Liang-Feng Huang and Xue-Zeng Lu and Emrys Tennessen and James M. Rondinelli},\n\ttitle = {An efficient ab-initio quasiharmonic approach for the thermodynamics of solids},\n\tjournal = {Computational Materials Science}\n}\n\n%84\n
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\n \n\n \n \n \n \n Ruddlesden–Popper Hybrid Lead Iodide Perovskite 2D Homologous Semiconductors.\n \n \n\n\n \n Stoumpos, C. C.; Cao, D. H.; Clark, D. J.; Young, J.; Rondinelli, J. M.; Jang, J. I.; Hupp, J. T.; and Kanatzidis, M. G.\n\n\n \n\n\n\n Chemistry of Materials, 28(8): 2852-2867. apr 2016.\n \n\n\n\n
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@article{Stoumpos_2016,\n\tdoi = {10.1021/acs.chemmater.6b00847},\n\turl = {https://doi.org/10.1021/acs.chemmater.6b00847},\n\tyear = 2016,\n\tmonth = {apr},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {28},\n\tnumber = {8},\n\tpages = {2852-2867},\n\tauthor = {Constantinos C. Stoumpos and Duyen H. Cao and Daniel J. Clark and Joshua Young and James M. Rondinelli and Joon I. Jang and Joseph T. Hupp and Mercouri G. Kanatzidis},\n\ttitle = {{Ruddlesden--Popper Hybrid Lead Iodide Perovskite 2D Homologous Semiconductors}},\n\tjournal = {Chemistry of Materials}\n}\n\n%83\n
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\n \n\n \n \n \n \n Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite $A_3B_3CD_2$O$_{14}$ Family.\n \n \n\n\n \n Yu, H.; Young, J.; Wu, H.; Zhang, W.; Rondinelli, J. M.; and Halasyamani, P. S.\n\n\n \n\n\n\n Journal of the American Chemical Society, 138(14): 4984-4989. apr 2016.\n \n\n\n\n
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@article{Yu_2016,\n\tdoi = {10.1021/jacs.6b02203},\n\turl = {https://doi.org/10.1021/jacs.6b02203},\n\tyear = 2016,\n\tmonth = {apr},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {138},\n\tnumber = {14},\n\tpages = {4984-4989},\n\tauthor = {Hongwei Yu and Joshua Young and Hongping Wu and Weiguo Zhang and James M. Rondinelli and P. Shiv Halasyamani},\n\ttitle = {{Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite $A_3B_3CD_2$O$_{14}$ Family}},\n\tjournal = {Journal of the American Chemical Society}\n}\n\n%82\n
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\n \n\n \n \n \n \n Interplay between electron correlations and polar displacements in metallic SrEuMo$_2$O$_6$.\n \n \n\n\n \n Giovannetti, G.; Puggioni, D.; Rondinelli, J. M.; and Capone, M.\n\n\n \n\n\n\n Physical Review B, 93(11): 115147. mar 2016.\n \n\n\n\n
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@article{Giovannetti_2016a,\n\tdoi = {10.1103/physrevb.93.115147},\n\turl = {https://doi.org/10.1103/physrevb.93.115147},\n\tyear = 2016,\n\tmonth = {mar},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {93},\n\tnumber = {11},\n\tpages = {115147},\n\tauthor = {Gianluca Giovannetti and Danilo Puggioni and James M. Rondinelli and Massimo Capone},\n\ttitle = {{Interplay between electron correlations and polar displacements in metallic SrEuMo$_2$O$_6$}},\n\tjournal = {Physical Review B}\n}\n\n%81\n
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@article{Poeppelmeier_2016b,\n\tdoi = {10.1038/nchem.2477},\n\turl = {https://doi.org/10.1038/nchem.2477},\n\tyear = 2016,\n\tmonth = {mar},\n\tpublisher = {Springer Science and Business Media {LLC}},\n\tvolume = {8},\n\tnumber = {4},\n\tpages = {292-294},\n\tauthor = {Kenneth R. Poeppelmeier and James M. Rondinelli},\n\ttitle = {Mismatched lattices patched up},\n\tjournal = {Nature Chemistry}\n}\n\n%80\n
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\n \n\n \n \n \n \n Comment on ``High-pressure synthesis of orthorhombic SrIrO$_3$ perovskite and its positive magnetoresistanc'' [J. Appl. Phys. \\textbf103, 103706 (2008)].\n \n \n\n\n \n Puggioni, D.; and Rondinelli, J. M.\n\n\n \n\n\n\n Journal of Applied Physics, 119(8): 086102. feb 2016.\n \n\n\n\n
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@article{Puggioni_2016,\n\tdoi = {10.1063/1.4942651},\n\turl = {https://doi.org/10.1063/1.4942651},\n\tyear = 2016,\n\tmonth = {feb},\n\tpublisher = {{AIP} Publishing},\n\tvolume = {119},\n\tnumber = {8},\n\tpages = {086102},\n\tauthor = {D. Puggioni and J. M. Rondinelli},\n\ttitle = {{Comment on ``High-pressure synthesis of orthorhombic SrIrO$_3$ perovskite and its positive magnetoresistanc'' [J. Appl. Phys. \\textbf{103}, 103706 (2008)]}},\n\tjournal = {Journal of Applied Physics}\n}\n\n%79\n
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\n \n\n \n \n \n \n Octahedral Rotation Preferences in Perovskite Iodides and Bromides.\n \n \n\n\n \n Young, J.; and Rondinelli, J. M.\n\n\n \n\n\n\n The Journal of Physical Chemistry Letters, 7(5): 918-922. feb 2016.\n \n\n\n\n
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@article{Young_2016a,\n\tdoi = {10.1021/acs.jpclett.6b00094},\n\turl = {https://doi.org/10.1021/acs.jpclett.6b00094},\n\tyear = 2016,\n\tmonth = {feb},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {7},\n\tnumber = {5},\n\tpages = {918-922},\n\tauthor = {Joshua Young and James M. Rondinelli},\n\ttitle = {{Octahedral Rotation Preferences in Perovskite Iodides and Bromides}},\n\tjournal = {The Journal of Physical Chemistry Letters}\n}\n\n%78\n
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@article{Young_2016,\n\tdoi = {10.1039/c5tc04239a},\n\turl = {https://doi.org/10.1039/c5tc04239a},\n\tyear = 2016,\n\tpublisher = {Royal Society of Chemistry ({RSC})},\n\tvolume = {4},\n\tnumber = {18},\n\tpages = {4016-4027},\n\tauthor = {Joshua Young and Parth Lalkiya and James M. Rondinelli},\n\ttitle = {Design of noncentrosymmetric perovskites from centric and acentric basic building units},\n\tjournal = {Journal of Materials Chemistry C}\n}\n\n%77\n
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@article{Liu_2016,\n\tdoi = {10.1103/physrevb.93.085118},\n\turl = {https://doi.org/10.1103/physrevb.93.085118},\n\tyear = 2016,\n\tmonth = {feb},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {93},\n\tnumber = {8},\n\tPages = {085118},\n\tauthor = {Jian Liu and D. Kriegner and L. Horak and D. Puggioni and C. Rayan Serrao and R. Chen and D. Yi and C. Frontera and V. Holy and A. Vishwanath and J. M. Rondinelli and X. Marti and R. Ramesh},\n\ttitle = {{Strain-induced nonsymmorphic symmetry breaking and removal of Dirac semimetallic nodal line in an orthoperovskite iridate}},\n\tjournal = {Physical Review B}\n}\n\n%76\n
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\n\n\n\n \n \n \"MetalsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Poeppelmeier_2016a,\n\tdoi = {10.1038/nmat4523},\n\turl = {https://doi.org/10.1038/nmat4523},\n\tyear = 2016,\n\tmonth = {dec},\n\tpublisher = {Springer Science and Business Media {LLC}},\n\tvolume = {15},\n\tnumber = {2},\n\tpages = {132-134},\n\tauthor = {Kenneth R. Poeppelmeier and James M. Rondinelli},\n\ttitle = {Metals amassing transparency},\n\tjournal = {Nature Materials}\n}\n\n%75\n
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\n \n\n \n \n \n \n Symmetry-Adapted Distortion Modes as Descriptors for Materials Informatics.\n \n \n\n\n \n Balachandran, P. V.; Benedek, N. A.; and Rondinelli, J. M.\n\n\n \n\n\n\n In Lookman, T.; Alexander, F. J.; and Rajan, K., editor(s), Information Science for Materials Discovery and Design, of Springer Series in Materials Science, pages 213-222. Springer International Publishing, dec 2016.\n \n\n\n\n
\n\n\n\n \n \n \"Symmetry-AdaptedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@incollection{Balachandran_2016a,\n\tdoi = {10.1007/978-3-319-23871-5_11},\n\turl = {https://doi.org/10.1007/978-3-319-23871-5_11},\n\tyear = 2016,\n\tmonth = {dec},\n\tpublisher = {Springer International Publishing},\n\tpages = {213-222},\n\tisbn={978-3-319-23870-8},\n\tseries={Springer Series in Materials Science},\n\tauthor = {Prasanna V. Balachandran and Nicole A. Benedek and James M. Rondinelli},\n\ttitle = {{Symmetry-Adapted Distortion Modes as Descriptors for Materials Informatics}},\n\tbooktitle = {Information Science for Materials Discovery and Design},\n\teditor={Lookman, Turab and Alexander, Francis J. and Rajan, Krishna},\n}\n\n%74\n
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\n  \n 2015\n \n \n (19)\n \n \n
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\n \n\n \n \n \n \n Lithium Niobate-Type Oxides as Visible Light Photovoltaic Materials.\n \n \n\n\n \n He, J.; Franchini, C.; and Rondinelli, J. M.\n\n\n \n\n\n\n Chemistry of Materials, 28(1): 25-29. dec 2015.\n \n\n\n\n
\n\n\n\n \n \n \"LithiumPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{He_2015,\n\tdoi = {10.1021/acs.chemmater.5b03356},\n\turl = {https://doi.org/10.1021/acs.chemmater.5b03356},\n\tyear = 2015,\n\tmonth = {dec},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {28},\n\tnumber = {1},\n\tpages = {25-29},\n\tauthor = {Jiangang He and Cesare Franchini and James M. Rondinelli},\n\ttitle = {{Lithium Niobate-Type Oxides as Visible Light Photovoltaic Materials}},\n\tjournal = {Chemistry of Materials}\n}\n\n%73\n
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\n \n\n \n \n \n \n Bidenticity-Enhanced Second Harmonic Generation from Pb Chelation in Pb$_3$Mg$_3$TeP$_2$O$_{14}$.\n \n \n\n\n \n Yu, H.; Zhang, W.; Young, J.; Rondinelli, J. M.; and Halasyamani, P. S.\n\n\n \n\n\n\n Journal of the American Chemical Society, 138(1): 88-91. dec 2015.\n \n\n\n\n
\n\n\n\n \n \n \"Bidenticity-EnhancedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Yu_2015b,\n\tdoi = {10.1021/jacs.5b11712},\n\turl = {https://doi.org/10.1021/jacs.5b11712},\n\tyear = 2015,\n\tmonth = {dec},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {138},\n\tnumber = {1},\n\tpages = {88-91},\n\tauthor = {Hongwei Yu and Weiguo Zhang and Joshua Young and James M. Rondinelli and P. Shiv Halasyamani},\n\ttitle = {{Bidenticity-Enhanced Second Harmonic Generation from Pb Chelation in Pb$_3$Mg$_3$TeP$_2$O$_{14}$}},\n\tjournal = {Journal of the American Chemical Society}\n}\n\n%72\n
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\n \n\n \n \n \n \n Electrochemical phase diagrams for Ti oxides from density functional calculations.\n \n \n\n\n \n Huang, L.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review B, 92(24): 245126. dec 2015.\n \n\n\n\n
\n\n\n\n \n \n \"ElectrochemicalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Huang_2015,\n\tdoi = {10.1103/physrevb.92.245126},\n\turl = {https://doi.org/10.1103/physrevb.92.245126},\n\tyear = 2015,\n\tmonth = {dec},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {92},\n\tnumber = {24},\n  \tpages = {245126},\n\tauthor = {Liang-Feng Huang and James M. Rondinelli},\n\ttitle = {{Electrochemical phase diagrams for Ti oxides from density functional calculations}},\n\tjournal = {Physical Review B}\n}\n\n%71\n
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\n \n\n \n \n \n \n Crystal structure and electronic properties of bulk and thin film brownmillerite oxides.\n \n \n\n\n \n Young, J.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review B, 92(17): 174111. nov 2015.\n \n\n\n\n
\n\n\n\n \n \n \"CrystalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Young_2015b,\n\tdoi = {10.1103/physrevb.92.174111},\n\turl = {https://doi.org/10.1103/physrevb.92.174111},\n\tyear = 2015,\n\tmonth = {nov},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {92},\n\tnumber = {17},\n\tpages = {174111},\n\tauthor = {Joshua Young and James M. Rondinelli},\n\ttitle = {Crystal structure and electronic properties of bulk and thin film brownmillerite oxides},\n\tjournal = {Physical Review B}\n}\n\n%70\n
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\n \n\n \n \n \n \n Design and Synthesis of the Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material Ba$_3$(ZnB$_5$O$_{10}$)PO$_4$.\n \n \n\n\n \n Yu, H.; Zhang, W.; Young, J.; Rondinelli, J. M.; and Halasyamani, P. S.\n\n\n \n\n\n\n Advanced Materials, 27(45): 7380-7385. oct 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DesignPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Yu_2015,\n\tdoi = {10.1002/adma.201503951},\n\turl = {https://doi.org/10.1002/adma.201503951},\n\tyear = 2015,\n\tmonth = {oct},\n\tpublisher = {Wiley},\n\tvolume = {27},\n\tnumber = {45},\n\tpages = {7380-7385},\n\tauthor = {Hongwei Yu and Weiguo Zhang and Joshua Young and James M. Rondinelli and P. Shiv Halasyamani},\n\ttitle = {{Design and Synthesis of the Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material Ba$_3$(ZnB$_5$O$_{10}$)PO$_4$}},\n\tjournal = {Advanced Materials}\n}\n\n%69\n
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\n \n\n \n \n \n \n RbMgCO$_3$F: A New Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material.\n \n \n\n\n \n Tran, T. T.; He, J.; Rondinelli, J. M.; and Halasyamani, P. S.\n\n\n \n\n\n\n Journal of the American Chemical Society, 137(33): 10504-10507. aug 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RbMgCO$_3$F:Paper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Tran_2015,\n\tdoi = {10.1021/jacs.5b06519},\n\turl = {https://doi.org/10.1021/jacs.5b06519},\n\tyear = 2015,\n\tmonth = {aug},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {137},\n\tnumber = {33},\n\tpages = {10504-10507},\n\tauthor = {T. Thao Tran and Jiangang He and James M. Rondinelli and P. Shiv Halasyamani},\n\ttitle = {{RbMgCO$_3$F: A New Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material}},\n\tjournal = {Journal of the American Chemical Society}\n}\n\n%68\n
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\n \n\n \n \n \n \n Ferroelectricity in ${d}^{0}$ double perovskite fluoroscandates.\n \n \n\n\n \n Charles, N.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review B, 92(5): 054111. aug 2015.\n \n\n\n\n
\n\n\n\n \n \n \"FerroelectricityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Charles_2015,\n\tdoi = {10.1103/physrevb.92.054111},\n\turl = {https://doi.org/10.1103/physrevb.92.054111},\n\tyear = 2015,\n\tmonth = {aug},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {92},\n\tnumber = {5},\n  \tpages = {054111},\n\tauthor = {Nenian Charles and James M. Rondinelli},\n\ttitle = {{Ferroelectricity in ${d}^{0}$ double perovskite fluoroscandates}},\n\tjournal = {Physical Review B}\n}\n\n%67\n
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\n \n\n \n \n \n \n Materials Prediction via Classification Learning.\n \n \n\n\n \n Balachandran, P. V.; Theiler, J.; Rondinelli, J. M.; and Lookman, T.\n\n\n \n\n\n\n Scientific Reports, 5(1): 13285. aug 2015.\n \n\n\n\n
\n\n\n\n \n \n \"MaterialsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Balachandran_2015b,\n\tdoi = {10.1038/srep13285},\n\turl = {https://doi.org/10.1038/srep13285},\n\tyear = 2015,\n\tmonth = {aug},\n\tpublisher = {Springer Science and Business Media {LLC}},\n\tvolume = {5},\n\tnumber = {1},\n\tpages = {13285},\n\tauthor = {Prasanna V. Balachandran and James Theiler and James M. Rondinelli and Turab Lookman},\n\ttitle = {Materials Prediction via Classification Learning},\n\tjournal = {Scientific Reports}\n}\n\n%66\n
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\n \n\n \n \n \n \n Design of a Mott Multiferroic from a Nonmagnetic Polar Metal.\n \n \n\n\n \n Puggioni, D.; Giovannetti, G.; Capone, M.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review Letters, 115(8): 087202. aug 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DesignPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Puggioni_2015b,\n\tdoi = {10.1103/physrevlett.115.087202},\n\turl = {https://doi.org/10.1103/physrevlett.115.087202},\n\tyear = 2015,\n\tmonth = {aug},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {115},\n\tnumber = {8},\n\tpages = {087202},\n\tauthor = {Danilo Puggioni and Gianluca Giovannetti and Massimo Capone and James M. Rondinelli},\n\ttitle = {{Design of a Mott Multiferroic from a Nonmagnetic Polar Metal}},\n\tjournal = {Physical Review Letters}\n}\n\n%65\n
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\n \n\n \n \n \n \n Research Update: Towards designed functionalities in oxide-based electronic materials.\n \n \n\n\n \n Rondinelli, J. M.; Poeppelmeier, K. R.; and Zunger, A.\n\n\n \n\n\n\n APL Materials, 3(8): 080702. aug 2015.\n \n\n\n\n
\n\n\n\n \n \n \"ResearchPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Rondinelli_2015b,\n\tdoi = {10.1063/1.4928289},\n\turl = {https://doi.org/10.1063/1.4928289},\n\tyear = 2015,\n\tmonth = {aug},\n\tpublisher = {{AIP} Publishing},\n\tvolume = {3},\n\tnumber = {8},\n\tpages = {080702},\n\tauthor = {James M. Rondinelli and Kenneth R. Poeppelmeier and Alex Zunger},\n\ttitle = {{Research Update: Towards designed functionalities in oxide-based electronic materials}},\n\tjournal = {{APL} Materials}\n}\n\n%64\n
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\n \n\n \n \n \n \n Pb$_2$Ba$_3$(BO$_3$)$_3$Cl: A Material with Large SHG Enhancement Activated by Pb-Chelated BO$_3$ Groups.\n \n \n\n\n \n Dong, X.; Jing, Q.; Shi, Y.; Yang, Z.; Pan, S.; Poeppelmeier, K. R.; Young, J.; and Rondinelli, J. M.\n\n\n \n\n\n\n Journal of the American Chemical Society, 137(29): 9417-9422. jul 2015.\n \n\n\n\n
\n\n\n\n \n \n \"Pb$_2$Ba$_3$(BO$_3$)$_3$Cl:Paper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Dong_2015,\n\tdoi = {10.1021/jacs.5b05406},\n\turl = {https://doi.org/10.1021/jacs.5b05406},\n\tyear = 2015,\n\tmonth = {jul},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {137},\n\tnumber = {29},\n\tpages = {9417-9422},\n\tauthor = {Xiaoyu Dong and Qun Jing and Yunjing Shi and Zhihua Yang and Shilie Pan and Kenneth R. Poeppelmeier and Joshua Young and James M. Rondinelli},\n\ttitle = {{Pb$_2$Ba$_3$(BO$_3$)$_3$Cl: A Material with Large SHG Enhancement Activated by Pb-Chelated BO$_3$ Groups}},\n\tjournal = {Journal of the American Chemical Society}\n}\n\n%63\n
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\n \n\n \n \n \n \n Ferroelectricity from coupled cooperative Jahn-Teller distortions and octahedral rotations in ordered Ruddlesden-Popper manganates.\n \n \n\n\n \n Cammarata, A.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review B, 92(1): 014102. jul 2015.\n \n\n\n\n
\n\n\n\n \n \n \"FerroelectricityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Cammarata_2015b,\n\tdoi = {10.1103/physrevb.92.014102},\n\turl = {https://doi.org/10.1103/physrevb.92.014102},\n\tyear = 2015,\n\tmonth = {jul},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {92},\n\tnumber = {1},\n  \tpages = {014102},\n\tauthor = {Antonio Cammarata and James M. Rondinelli},\n\ttitle = {{Ferroelectricity from coupled cooperative Jahn-Teller distortions and octahedral rotations in ordered Ruddlesden-Popper manganates}},\n\tjournal = {Physical Review B}\n}\n\n%62\n
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\n \n\n \n \n \n \n Anharmonic lattice interactions in improper ferroelectrics for multiferroic design.\n \n \n\n\n \n Young, J.; Stroppa, A.; Picozzi, S.; and Rondinelli, J. M\n\n\n \n\n\n\n Journal of Physics: Condensed Matter, 27(28): 283202. jun 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AnharmonicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Young_2015a,\n\tdoi = {10.1088/0953-8984/27/28/283202},\n\turl = {https://doi.org/10.1088/0953-8984/27/28/283202},\n\tyear = 2015,\n\tmonth = {jun},\n\tpublisher = {{IOP} Publishing},\n\tvolume = {27},\n\tnumber = {28},\n\tpages = {283202},\n\tauthor = {Joshua Young and Alessandro Stroppa and Silvia Picozzi and James M Rondinelli},\n\ttitle = {Anharmonic lattice interactions in improper ferroelectrics for multiferroic design},\n\tjournal = {Journal of Physics: Condensed Matter}\n}\n\n%61\n
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\n \n\n \n \n \n \n Polarization screening-induced magnetic phase gradients at complex oxide interfaces.\n \n \n\n\n \n Spurgeon, S. R.; Balachandran, P. V.; Kepaptsoglou, D. M.; Damodaran, A. R.; Karthik, J.; Nejati, S.; Jones, L.; Ambaye, H.; Lauter, V.; Ramasse, Q. M.; Lau, K. K. S.; Martin, L. W.; Rondinelli, J. M.; and Taheri, M. L.\n\n\n \n\n\n\n Nature Communications, 6(1): 6735. apr 2015.\n \n\n\n\n
\n\n\n\n \n \n \"PolarizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Spurgeon_2015,\n\tdoi = {10.1038/ncomms7735},\n\turl = {https://doi.org/10.1038/ncomms7735},\n\tyear = 2015,\n\tmonth = {apr},\n\tpublisher = {Springer Science and Business Media {LLC}},\n\tvolume = {6},\n\tnumber = {1},\n  \tpages = {6735},\n\tauthor = {Steven R. Spurgeon and Prasanna V. Balachandran and Despoina M. Kepaptsoglou and Anoop R. Damodaran and J. Karthik and Siamak Nejati and Lewys Jones and Haile Ambaye and Valeria Lauter and Quentin M. Ramasse and Kenneth K. S. Lau and Lane W. Martin and James M. Rondinelli and Mitra L. Taheri},\n\ttitle = {{Polarization screening-induced magnetic phase gradients at complex oxide interfaces}},\n\tjournal = {Nature Communications}\n}\n\n%60\n
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\n \n\n \n \n \n \n Noncentrosymmetric structural transitions in ultrashort ferroelectric $A$GaO$_{3}$/$A^\\prime$GaO$_{3}$ superlattices.\n \n \n\n\n \n Song, N.; Rondinelli, J. M.; and Kim, B. G.\n\n\n \n\n\n\n Physical Review B, 91(13): 134104. apr 2015.\n \n\n\n\n
\n\n\n\n \n \n \"NoncentrosymmetricPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Song_2015,\n\tdoi = {10.1103/physrevb.91.134104},\n\turl = {https://doi.org/10.1103/physrevb.91.134104},\n\tyear = 2015,\n\tmonth = {apr},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {91},\n\tnumber = {13},\n\tpages = {134104},\n\tauthor = {Nayoung Song and James M. Rondinelli and Bog G. Kim},\n\ttitle = {{Noncentrosymmetric structural transitions in ultrashort ferroelectric $A$GaO$_{3}$/$A^\\prime$GaO$_{3}$ superlattices}},\n\tjournal = {Physical Review B}\n}\n\n%59\n
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\n \n\n \n \n \n \n Predicting and Designing Optical Properties of Inorganic Materials.\n \n \n\n\n \n Rondinelli, J. M.; and Kioupakis, E.\n\n\n \n\n\n\n Annual Review of Materials Research, 45(1): 491-518. jul 2015.\n \n\n\n\n
\n\n\n\n \n \n \"PredictingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Rondinelli_2015,\n\tdoi = {10.1146/annurev-matsci-070214-021150},\n\turl = {https://doi.org/10.1146/annurev-matsci-070214-021150},\n\tyear = 2015,\n\tmonth = {jul},\n\tpublisher = {Annual Reviews},\n\tvolume = {45},\n\tnumber = {1},\n\tpages = {491-518},\n\tauthor = {James M. Rondinelli and Emmanouil Kioupakis},\n\ttitle = {{Predicting and Designing Optical Properties of Inorganic Materials}},\n\tjournal = {Annual Review of Materials Research}\n}\n\n%58\n
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\n \n\n \n \n \n \n Understanding ferroelectricity in layered perovskites: new ideas and insights from theory and experiments.\n \n \n\n\n \n Benedek, N. A.; Rondinelli, J. M.; Djani, H.; Ghosez, P.; and Lightfoot, P.\n\n\n \n\n\n\n Dalton Transactions, 44(23): 10543-10558. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"UnderstandingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Benedek_2015,\n\tdoi = {10.1039/c5dt00010f},\n\turl = {https://doi.org/10.1039/c5dt00010f},\n\tyear = 2015,\n\tpublisher = {Royal Society of Chemistry ({RSC})},\n\tvolume = {44},\n\tnumber = {23},\n\tpages = {10543-10558},\n\tauthor = {Nicole A. Benedek and James M. Rondinelli and Hania Djani and Philippe Ghosez and Philip Lightfoot},\n\ttitle = {Understanding ferroelectricity in layered perovskites: new ideas and insights from theory and experiments},\n\tjournal = {Dalton Transactions}\n}\n\n%57\n
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\n \n\n \n \n \n \n Massive band gap variation in layered oxides through cation ordering.\n \n \n\n\n \n Balachandran, P. V.; and Rondinelli, J. M.\n\n\n \n\n\n\n Nature Communications, 6(1): 6191. jan 2015.\n \n\n\n\n
\n\n\n\n \n \n \"MassivePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Balachandran_2015,\n\tdoi = {10.1038/ncomms7191},\n\turl = {https://doi.org/10.1038/ncomms7191},\n\tyear = 2015,\n\tmonth = {jan},\n\tpublisher = {Springer Science and Business Media {LLC}},\n\tvolume = {6},\n\tnumber = {1},\n\tpages = {6191},\n\tauthor = {Prasanna V. Balachandran and James M. Rondinelli},\n\ttitle = {Massive band gap variation in layered oxides through cation ordering},\n\tjournal = {Nature Communications}\n}\n\n%56\n
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\n \n\n \n \n \n \n Tuning the ferroelectric polarization in $AA^\\prime$MnWO$_6$ double perovskites through $A$ cation substitution.\n \n \n\n\n \n Young, J.; Stroppa, A.; Picozzi, S.; and Rondinelli, J. M.\n\n\n \n\n\n\n Dalton Transactions, 44(23): 10644-10653. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"TuningPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Young_2015,\n\tdoi = {10.1039/c4dt03521f},\n\turl = {https://doi.org/10.1039/c4dt03521f},\n\tyear = 2015,\n\tpublisher = {Royal Society of Chemistry ({RSC})},\n\tvolume = {44},\n\tnumber = {23},\n\tpages = {10644-10653},\n\tauthor = {Joshua Young and Alessandro Stroppa and Silvia Picozzi and James M. Rondinelli},\n\ttitle = {{Tuning the ferroelectric polarization in $AA^\\prime$MnWO$_6$ double perovskites through $A$ cation substitution}},\n\tjournal = {Dalton Transactions}\n}\n\n%55\n
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\n  \n 2014\n \n \n (20)\n \n \n
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\n \n\n \n \n \n \n Band structure and optical transitions in LaFeO$_3$: theory and experiment.\n \n \n\n\n \n Scafetta, M. D; Cordi, A. M; Rondinelli, J. M; and May, S. J\n\n\n \n\n\n\n Journal of Physics: Condensed Matter, 26(50): 505502. nov 2014.\n \n\n\n\n
\n\n\n\n \n \n \"BandPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Scafetta_2014,\n\tdoi = {10.1088/0953-8984/26/50/505502},\n\turl = {https://doi.org/10.1088/0953-8984/26/50/505502},\n\tyear = 2014,\n\tmonth = {nov},\n\tpublisher = {{IOP} Publishing},\n\tvolume = {26},\n\tnumber = {50},\n\tpages = {505502},\n\tauthor = {Mark D Scafetta and Adam M Cordi and James M Rondinelli and Steven J May},\n\ttitle = {{Band structure and optical transitions in LaFeO$_3$: theory and experiment}},\n\tjournal = {Journal of Physics: Condensed Matter}\n}\n\n%54\n
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\n \n\n \n \n \n \n Microscopic Origins of Optical Second Harmonic Generation in Noncentrosymmetric–Nonpolar Materials.\n \n \n\n\n \n Cammarata, A.; Zhang, W.; Halasyamani, P. S.; and Rondinelli, J. M.\n\n\n \n\n\n\n Chemistry of Materials, 26(19): 5773-5781. oct 2014.\n \n\n\n\n
\n\n\n\n \n \n \"MicroscopicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Cammarata_2014b,\n\tdoi = {10.1021/cm502895h},\n\turl = {https://doi.org/10.1021/cm502895h},\n\tyear = 2014,\n\tmonth = {oct},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {26},\n\tnumber = {19},\n\tpages = {5773-5781},\n\tauthor = {Antonio Cammarata and Weiguo Zhang and P. Shiv Halasyamani and James M. Rondinelli},\n\ttitle = {{Microscopic Origins of Optical Second Harmonic Generation in Noncentrosymmetric--Nonpolar Materials}},\n\tjournal = {Chemistry of Materials}\n}\n\n%53\n
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\n \n\n \n \n \n \n \\emphColloquium: Emergent properties in plane view: Strong correlations at oxide interfaces.\n \n \n\n\n \n Chakhalian, J.; Freeland, J. W.; Millis, A. J.; Panagopoulos, C.; and Rondinelli, J. M.\n\n\n \n\n\n\n Reviews of Modern Physics, 86(4): 1189-1202. oct 2014.\n \n\n\n\n
\n\n\n\n \n \n \"\\emphColloquium:Paper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Chakhalian_2014,\n\tdoi = {10.1103/revmodphys.86.1189},\n\turl = {https://doi.org/10.1103/revmodphys.86.1189},\n\tyear = 2014,\n\tmonth = {oct},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {86},\n\tnumber = {4},\n\tpages = {1189-1202},\n\tauthor = {Jak Chakhalian and John W. Freeland and Andrew J. Millis and Christos Panagopoulos and James M. Rondinelli},\n\ttitle = {{\\emph{Colloquium}: Emergent properties in plane view: Strong correlations at oxide interfaces}},\n\tjournal = {Reviews of Modern Physics}\n}\n\n%52\n
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\n \n\n \n \n \n \n Microscopic origin of pressure-induced isosymmetric transitions in fluoromanganate cryolites.\n \n \n\n\n \n Charles, N.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review B, 90(9): 094114. sep 2014.\n \n\n\n\n
\n\n\n\n \n \n \"MicroscopicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Charles_2014,\n\tdoi = {10.1103/physrevb.90.094114},\n\turl = {https://doi.org/10.1103/physrevb.90.094114},\n\tyear = 2014,\n\tmonth = {sep},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {90},\n\tnumber = {9},\n\tpages = {094114},\n\tauthor = {Nenian Charles and James M. Rondinelli},\n\ttitle = {Microscopic origin of pressure-induced isosymmetric transitions in fluoromanganate cryolites},\n\tjournal = {Physical Review B}\n}\n\n%51\n
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\n \n\n \n \n \n \n Covalent dependence of octahedral rotations in orthorhombic perovskite oxides.\n \n \n\n\n \n Cammarata, A.; and Rondinelli, J. M.\n\n\n \n\n\n\n The Journal of Chemical Physics, 141(11): 114704. sep 2014.\n \n\n\n\n
\n\n\n\n \n \n \"CovalentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Cammarata_2014a,\n\tdoi = {10.1063/1.4895967},\n\turl = {https://doi.org/10.1063/1.4895967},\n\tyear = 2014,\n\tmonth = {sep},\n\tpublisher = {{AIP} Publishing},\n\tvolume = {141},\n\tnumber = {11},\n\tpages = {114704},\n\tauthor = {Antonio Cammarata and James M. Rondinelli},\n\ttitle = {Covalent dependence of octahedral rotations in orthorhombic perovskite oxides},\n\tjournal = {The Journal of Chemical Physics}\n}\n\n%50\n
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\n \n\n \n \n \n \n Polar Cation Ordering: A Route to Introducing $>$10% Bond Strain Into Layered Oxide Films.\n \n \n\n\n \n Nelson-Cheeseman, B. B.; Zhou, H.; Balachandran, P. V.; Fabbris, G.; Hoffman, J.; Haskel, D.; Rondinelli, J. M.; and Bhattacharya, A.\n\n\n \n\n\n\n Advanced Functional Materials, 24(43): 6884-6891. sep 2014.\n \n\n\n\n
\n\n\n\n \n \n \"PolarPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Nelson_Cheeseman_2014,\n\tdoi = {10.1002/adfm.201401077},\n\turl = {https://doi.org/10.1002/adfm.201401077},\n\tyear = 2014,\n\tmonth = {sep},\n\tpublisher = {Wiley},\n\tvolume = {24},\n\tnumber = {43},\n\tpages = {6884-6891},\n\tauthor = {Brittany B. Nelson-Cheeseman and Hua Zhou and Prasanna V. Balachandran and Gilberto Fabbris and Jason Hoffman and Daniel Haskel and James M. Rondinelli and Anand Bhattacharya},\n\ttitle = {{Polar Cation Ordering: A Route to Introducing $>$10\\% Bond Strain Into Layered Oxide Films}},\n\tjournal = {Advanced Functional Materials}\n}\n\n%49\n
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\n \n\n \n \n \n \n Inductive crystal field control in layered metal oxides with correlated electrons.\n \n \n\n\n \n Balachandran, P. V.; Cammarata, A.; Nelson-Cheeseman, B. B.; Bhattacharya, A.; and Rondinelli, J. M.\n\n\n \n\n\n\n APL Materials, 2(7): 076110. jul 2014.\n \n\n\n\n
\n\n\n\n \n \n \"InductivePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Balachandran_2014b,\n\tdoi = {10.1063/1.4890544},\n\turl = {https://doi.org/10.1063/1.4890544},\n\tyear = 2014,\n\tmonth = {jul},\n\tpublisher = {{AIP} Publishing},\n\tvolume = {2},\n\tnumber = {7},\n\tpages = {076110},\n\tauthor = {P. V. Balachandran and A. Cammarata and B. B. Nelson-Cheeseman and A. Bhattacharya and J. M. Rondinelli},\n\ttitle = {Inductive crystal field control in layered metal oxides with correlated electrons},\n\tjournal = {{APL} Materials}\n}\n\n%48\n
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\n \n\n \n \n \n \n Linear optical and electronic properties of the polar metallic ruthenate (Sr,Ca)Ru$_2$O$_6$.\n \n \n\n\n \n Puggioni, D.; and Rondinelli, J. M\n\n\n \n\n\n\n Journal of Physics: Condensed Matter, 26(26): 265501. jun 2014.\n \n\n\n\n
\n\n\n\n \n \n \"LinearPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Puggioni_2014b,\n\tdoi = {10.1088/0953-8984/26/26/265501},\n\turl = {https://doi.org/10.1088/0953-8984/26/26/265501},\n\tyear = 2014,\n\tmonth = {jun},\n\tpublisher = {{IOP} Publishing},\n\tvolume = {26},\n\tnumber = {26},\n\tpages = {265501},\n\tauthor = {Danilo Puggioni and James M Rondinelli},\n\ttitle = {{Linear optical and electronic properties of the polar metallic ruthenate (Sr,Ca)Ru$_2$O$_6$}},\n\tjournal = {Journal of Physics: Condensed Matter}\n}\n\n%47\n
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\n \n\n \n \n \n \n Electronically driven structural transitions in ıt A$_{10}$(PO$_{4}$)$_{6}$F$_{2}$ apatites (ıt A = Ca, Sr, Pb, Cd and Hg).\n \n \n\n\n \n Balachandran, P. V.; Rajan, K.; and Rondinelli, J. M.\n\n\n \n\n\n\n Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 70(3): 612-615. may 2014.\n \n\n\n\n
\n\n\n\n \n \n \"ElectronicallyPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Balachandran_2014a,\n\tdoi = {10.1107/s2052520614003710},\n\turl = {https://doi.org/10.1107/s2052520614003710},\n\tyear = 2014,\n\tmonth = {may},\n\tpublisher = {International Union of Crystallography ({IUCr})},\n\tvolume = {70},\n\tnumber = {3},\n\tpages = {612-615},\n\tauthor = {Prasanna V. Balachandran and Krishna Rajan and James M. Rondinelli},\n\ttitle = {{{Electronically driven structural transitions in {\\it A}$_{10}$(PO$_{4}$)$_{6}$F$_{2}$ apatites ({\\it A} = Ca, Sr, Pb, Cd and Hg)}}},\n\tjournal = {Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials}\n}\n\n%46\n
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\n \n\n \n \n \n \n Improper ferroelectricity and piezoelectric responses in rhombohedral $(A,A^\\prime)B_2\\mathrm{O}_6$ perovskite oxides.\n \n \n\n\n \n Young, J.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review B, 89(17): 174110. may 2014.\n \n\n\n\n
\n\n\n\n \n \n \"ImproperPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Young_2014,\n\tdoi = {10.1103/physrevb.89.174110},\n\turl = {https://doi.org/10.1103/physrevb.89.174110},\n\tyear = 2014,\n\tmonth = {may},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {89},\n\tnumber = {17},\n\tpages = {174110},\n\tauthor = {Joshua Young and James M. Rondinelli},\n\ttitle = {{Improper ferroelectricity and piezoelectric responses in rhombohedral $(A,A^\\prime)B_2\\mathrm{O}_6$ perovskite oxides}},\n\tjournal = {Physical Review B}\n}\n\n%45\n
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\n \n\n \n \n \n \n Role of Acentric Displacements on the Crystal Structure and Second-Harmonic Generating Properties of RbPbCO$_3$F and CsPbCO$_3$F.\n \n \n\n\n \n Tran, T. T.; Halasyamani, P. S.; and Rondinelli, J. M.\n\n\n \n\n\n\n Inorganic Chemistry, 53(12): 6241-6251. may 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RolePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Tran_2014,\n\tdoi = {10.1021/ic500778n},\n\turl = {https://doi.org/10.1021/ic500778n},\n\tyear = 2014,\n\tmonth = {may},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {53},\n\tnumber = {12},\n\tpages = {6241-6251},\n\tauthor = {T. Thao Tran and P. Shiv Halasyamani and James M. Rondinelli},\n\ttitle = {{Role of Acentric Displacements on the Crystal Structure and Second-Harmonic Generating Properties of RbPbCO$_3$F and CsPbCO$_3$F}},\n\tjournal = {Inorganic Chemistry}\n}\n\n%44\n
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\n \n\n \n \n \n \n Piezoelectricity Across a Strain-Induced Isosymmetric Ferri-to-Ferroelectric Transition.\n \n \n\n\n \n Gou, G.; and Rondinelli, J. M.\n\n\n \n\n\n\n Advanced Materials Interfaces, 1(5): 1400042. mar 2014.\n \n\n\n\n
\n\n\n\n \n \n \"PiezoelectricityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Gou_2014,\n\tdoi = {10.1002/admi.201400042},\n\turl = {https://doi.org/10.1002/admi.201400042},\n\tyear = 2014,\n\tmonth = {mar},\n\tpublisher = {Wiley},\n\tvolume = {1},\n\tnumber = {5},\n\tpages = {1400042},\n\tauthor = {Gaoyang Gou and James M. Rondinelli},\n\ttitle = {{Piezoelectricity Across a Strain-Induced Isosymmetric Ferri-to-Ferroelectric Transition}},\n\tjournal = {Advanced Materials Interfaces}\n}\n\n%43\n
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\n \n\n \n \n \n \n Effect of Interfacial Octahedral Behavior in Ultrathin Manganite Films.\n \n \n\n\n \n Moon, E. J.; Balachandran, P. V.; Kirby, B. J.; Keavney, D. J.; Sichel-Tissot, R. J.; Schlepütz, C. M.; Karapetrova, E.; Cheng, X. M.; Rondinelli, J. M.; and May, S. J.\n\n\n \n\n\n\n Nano Letters, 14(5): 2509-2514. apr 2014.\n \n\n\n\n
\n\n\n\n \n \n \"EffectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Moon_2014,\n\tdoi = {10.1021/nl500235f},\n\turl = {https://doi.org/10.1021/nl500235f},\n\tyear = 2014,\n\tmonth = {apr},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {14},\n\tnumber = {5},\n\tpages = {2509-2514},\n\tauthor = {E. J. Moon and P. V. Balachandran and B. J. Kirby and D. J. Keavney and R. J. Sichel-Tissot and C. M. Schlepütz and E. Karapetrova and X. M. Cheng and J. M. Rondinelli and S. J. May},\n\ttitle = {{Effect of Interfacial Octahedral Behavior in Ultrathin Manganite Films}},\n\tjournal = {Nano Letters}\n}\n\n%42\n
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\n \n\n \n \n \n \n Inversion Symmetry Breaking by Oxygen Octahedral Rotations in the Ruddlesden-Popper Na$R$TiO$_4$ Family.\n \n \n\n\n \n Akamatsu, H.; Fujita, K.; Kuge, T.; Gupta, A. S.; Togo, A.; Lei, S.; Xue, F.; Stone, G.; Rondinelli, J. M.; Chen, L.; Tanaka, I.; Gopalan, V.; and Tanaka, K.\n\n\n \n\n\n\n Physical Review Letters, 112(18): 187602. may 2014.\n \n\n\n\n
\n\n\n\n \n \n \"InversionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Akamatsu_2014,\n\tdoi = {10.1103/physrevlett.112.187602},\n\turl = {https://doi.org/10.1103/physrevlett.112.187602},\n\tyear = 2014,\n\tmonth = {may},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {112},\n\tnumber = {18},\n\tpages = {187602},\n\tauthor = {Hirofumi Akamatsu and Koji Fujita and Toshihiro Kuge and Arnab Sen Gupta and Atsushi Togo and Shiming Lei and Fei Xue and Greg Stone and James M. Rondinelli and Long-Qing Chen and Isao Tanaka and Venkatraman Gopalan and Katsuhisa Tanaka},\n\ttitle = {{Inversion Symmetry Breaking by Oxygen Octahedral Rotations in the Ruddlesden-Popper Na$R$TiO$_4$ Family}},\n\tjournal = {Physical Review Letters}\n}\n\n%41\n
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\n \n\n \n \n \n \n Designing a robustly metallic noncenstrosymmetric ruthenate oxide with large thermopower anisotropy.\n \n \n\n\n \n Puggioni, D.; and Rondinelli, J. M.\n\n\n \n\n\n\n Nature Communications, 5(1): 3432. mar 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DesigningPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Puggioni_2014a,\n\tdoi = {10.1038/ncomms4432},\n\turl = {https://doi.org/10.1038/ncomms4432},\n\tyear = 2014,\n\tmonth = {mar},\n\tpublisher = {Springer Science and Business Media {LLC}},\n\tvolume = {5},\n\tnumber = {1},\n\tpages = {3432},\n\tauthor = {Danilo Puggioni and James M. Rondinelli},\n\ttitle = {Designing a robustly metallic noncenstrosymmetric ruthenate oxide with large thermopower anisotropy},\n\tjournal = {Nature Communications}\n}\n\n%40\n
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\n \n\n \n \n \n \n Contributions of Correlated Acentric Atomic Displacements to the Nonlinear Second Harmonic Generation and Response.\n \n \n\n\n \n Cammarata, A.; and Rondinelli, J. M.\n\n\n \n\n\n\n ACS Photonics, 1(2): 96-100. jan 2014.\n \n\n\n\n
\n\n\n\n \n \n \"ContributionsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Cammarata_2014,\n\tdoi = {10.1021/ph400049h},\n\turl = {https://doi.org/10.1021/ph400049h},\n\tyear = 2014,\n\tmonth = {jan},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {1},\n\tnumber = {2},\n\tpages = {96-100},\n\tauthor = {Antonio Cammarata and James M. Rondinelli},\n\ttitle = {{Contributions of Correlated Acentric Atomic Displacements to the Nonlinear Second Harmonic Generation and Response}},\n\tjournal = {{ACS} Photonics}\n}\n\n%39\n
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\n \n\n \n \n \n \n Estimating Hybridization of Transition Metal and Oxygen States in Perovskites from O $K$-edge X-ray Absorption Spectroscopy.\n \n \n\n\n \n Suntivich, J.; Hong, W. T.; Lee, Y.; Rondinelli, J. M.; Yang, W.; Goodenough, J. B.; Dabrowski, B.; Freeland, J. W.; and Shao-Horn, Y.\n\n\n \n\n\n\n The Journal of Physical Chemistry C, 118(4): 1856-1863. jan 2014.\n \n\n\n\n
\n\n\n\n \n \n \"EstimatingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Suntivich_2014,\n\tdoi = {10.1021/jp410644j},\n\turl = {https://doi.org/10.1021/jp410644j},\n\tyear = 2014,\n\tmonth = {jan},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {118},\n\tnumber = {4},\n\tpages = {1856-1863},\n\tauthor = {Jin Suntivich and Wesley T. Hong and Yueh-Lin Lee and James M. Rondinelli and Wanli Yang and John B. Goodenough and Bogdan Dabrowski and John W. Freeland and Yang Shao-Horn},\n\ttitle = {{Estimating Hybridization of Transition Metal and Oxygen States in Perovskites from O $K$-edge X-ray Absorption Spectroscopy}},\n\tjournal = {The Journal of Physical Chemistry C}\n}\n\n%38\n
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\n \n\n \n \n \n \n Cs$_3$Zn$_6$B$_9$O$_{21}$: A Chemically Benign Member of the KBBF Family Exhibiting the Largest Second Harmonic Generation Response.\n \n \n\n\n \n Yu, H.; Wu, H.; Pan, S.; Yang, Z.; Hou, X.; Su, X.; Jing, Q.; Poeppelmeier, K. R.; and Rondinelli, J. M.\n\n\n \n\n\n\n Journal of the American Chemical Society, 136(4): 1264-1267. jan 2014.\n \n\n\n\n
\n\n\n\n \n \n \"Cs$_3$Zn$_6$B$_9$O$_{21}$:Paper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Yu_2014,\n\tdoi = {10.1021/ja4117389},\n\turl = {https://doi.org/10.1021/ja4117389},\n\tyear = 2014,\n\tmonth = {jan},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {136},\n\tnumber = {4},\n\tpages = {1264-1267},\n\tauthor = {Hongwei Yu and Hongping Wu and Shilie Pan and Zhihua Yang and Xueling Hou and Xin Su and Qun Jing and Kenneth R. Poeppelmeier and James M. Rondinelli},\n\ttitle = {{Cs$_3$Zn$_6$B$_9$O$_{21}$: A Chemically Benign Member of the KBBF Family Exhibiting the Largest Second Harmonic Generation Response}},\n\tjournal = {Journal of the American Chemical Society}\n}\n\n%37\n
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\n \n\n \n \n \n \n Thickness-Dependent Crossover from Charge- to Strain-Mediated Magnetoelectric Coupling in Ferromagnetic/Piezoelectric Oxide Heterostructures.\n \n \n\n\n \n Spurgeon, S. R.; Sloppy, J. D.; Kepaptsoglou, D. M. (.; Balachandran, P. V.; Nejati, S.; Karthik, J.; Damodaran, A. R.; Johnson, C. L.; Ambaye, H.; Goyette, R.; Lauter, V.; Ramasse, Q. M.; Idrobo, J. C.; Lau, K. K. S.; Lofland, S. E.; Rondinelli, J. M.; Martin, L. W.; and Taheri, M. L.\n\n\n \n\n\n\n ACS Nano, 8(1): 894-903. dec 2014.\n \n\n\n\n
\n\n\n\n \n \n \"Thickness-DependentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Spurgeon_2014,\n\tdoi = {10.1021/nn405636c},\n\turl = {https://doi.org/10.1021/nn405636c},\n\tyear = 2014,\n\tmonth = {dec},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {8},\n\tnumber = {1},\n\tpages = {894-903},\n\tauthor = {Steven R. Spurgeon and Jennifer D. Sloppy and Despoina Maria (Demie) Kepaptsoglou and Prasanna V. Balachandran and Siamak Nejati and J. Karthik and Anoop R. Damodaran and Craig L. Johnson and Hailemariam Ambaye and Richard Goyette and Valeria Lauter and Quentin M. Ramasse and Juan Carlos Idrobo and Kenneth K. S. Lau and Samuel E. Lofland and James M. Rondinelli and Lane W. Martin and Mitra L. Taheri},\n\ttitle = {{Thickness-Dependent Crossover from Charge- to Strain-Mediated Magnetoelectric Coupling in Ferromagnetic/Piezoelectric Oxide Heterostructures}},\n\tjournal = {{ACS} Nano}\n}\n\n%36\n
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\n \n\n \n \n \n \n Crystal-Chemistry Guidelines for Noncentrosymmetric $A_2B$O$_4$ Ruddlesden-Popper Oxides.\n \n \n\n\n \n Balachandran, P. V.; Puggioni, D.; and Rondinelli, J. M.\n\n\n \n\n\n\n Inorganic Chemistry, 53(1): 336-348. dec 2014.\n \n\n\n\n
\n\n\n\n \n \n \"Crystal-ChemistryPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Balachandran_2014,\n\tdoi = {10.1021/ic402283c},\n\turl = {https://doi.org/10.1021/ic402283c},\n\tyear = 2014,\n\tmonth = {dec},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {53},\n\tnumber = {1},\n\tpages = {336-348},\n\tauthor = {Prasanna V. Balachandran and Danilo Puggioni and James M. Rondinelli},\n\ttitle = {{Crystal-Chemistry Guidelines for Noncentrosymmetric $A_2B$O$_4$ Ruddlesden-Popper Oxides}},\n\tjournal = {Inorganic Chemistry}\n}\n\n%35\n
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\n  \n 2013\n \n \n (11)\n \n \n
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\n \n\n \n \n \n \n Atomic Scale Design of Polar Perovskite Oxides without Second-Order Jahn–Teller Ions.\n \n \n\n\n \n Young, J.; and Rondinelli, J. M.\n\n\n \n\n\n\n Chemistry of Materials, 25(22): 4545-4550. nov 2013.\n \n\n\n\n
\n\n\n\n \n \n \"AtomicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Young_2013,\n\tdoi = {10.1021/cm402550q},\n\turl = {https://doi.org/10.1021/cm402550q},\n\tyear = 2013,\n\tmonth = {nov},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {25},\n\tnumber = {22},\n\tpages = {4545-4550},\n\tauthor = {Joshua Young and James M. Rondinelli},\n\ttitle = {{Atomic Scale Design of Polar Perovskite Oxides without Second-Order Jahn--Teller Ions}},\n\tjournal = {Chemistry of Materials}\n}\n\n%34\n
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\n \n\n \n \n \n \n Accelerating functional materials discovery: Insights from geological sciences, data-driven approaches, and computational advances.\n \n \n\n\n \n Rondinelli, J.; Benedek, N.; Freedman, D.; Kavner, A.; Rodriguez, E.; Toberer, E.; and Martin, L.\n\n\n \n\n\n\n Bulletin of the American Ceramic Society, 92(9): 14-22. Dec 2013.\n \n\n\n\n
\n\n\n\n \n \n \"AcceleratingPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Rondinelli_2013,\n  title = {{Accelerating functional materials discovery: Insights from geological sciences, data-driven approaches, and computational advances}},\n  author = {J.M. Rondinelli and N.A. Benedek and D.E. Freedman and A. Kavner and E.E. Rodriguez and E.S. Toberer  and L.W. Martin},\n  journal = {Bulletin of the American Ceramic Society},\n  volume = {92},\n  number = {9},\n  pages = {14-22},\n  numpages = {6},\n  year = {2013},\n  month = {Dec},\n  url = {https://escholarship.org/uc/item/0t18v5vf},\n}\n\n%33\n
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\n \n\n \n \n \n \n Heterointerface engineered electronic and magnetic phases of NdNiO$_3$ thin films.\n \n \n\n\n \n Tung, I. C.; Balachandran, P. V.; Liu, J.; Gray, B. A.; Karapetrova, E. A.; Lee, J. H.; Chakhalian, J.; Bedzyk, M. J.; Rondinelli, J. M.; and Freeland, J. W.\n\n\n \n\n\n\n Physical Review B, 88(20): 205112. nov 2013.\n \n\n\n\n
\n\n\n\n \n \n \"HeterointerfacePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Tung_2013,\n\tdoi = {10.1103/physrevb.88.205112},\n\turl = {https://doi.org/10.1103/physrevb.88.205112},\n\tyear = 2013,\n\tmonth = {nov},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {88},\n\tnumber = {20},\n\tpages = {205112},\n\tauthor = {I. C. Tung and P. V. Balachandran and Jian Liu and B. A. Gray and E. A. Karapetrova and J. H. Lee and J. Chakhalian and M. J. Bedzyk and J. M. Rondinelli and J. W. Freeland},\n\ttitle = {{Heterointerface engineered electronic and magnetic phases of NdNiO$_3$ thin films}},\n\tjournal = {Physical Review B}\n}\n\n%32\n
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\n \n\n \n \n \n \n Heterointerface engineered electronic and magnetic phases of NdNiO$_3$ thin films.\n \n \n\n\n \n Liu, J.; Kargarian, M.; Kareev, M.; Gray, B.; Ryan, P. J.; Cruz, A.; Tahir, N.; Chuang, Y.; Guo, J.; Rondinelli, J. M.; Freeland, J. W.; Fiete, G. A.; and Chakhalian, J.\n\n\n \n\n\n\n Nature Communications, 4(1): 2714. nov 2013.\n \n\n\n\n
\n\n\n\n \n \n \"HeterointerfacePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Liu_2013,\n\tdoi = {10.1038/ncomms3714},\n\turl = {https://doi.org/10.1038/ncomms3714},\n\tyear = 2013,\n\tmonth = {nov},\n\tpublisher = {Springer Science and Business Media {LLC}},\n\tvolume = {4},\n\tnumber = {1},\n\tpages = {2714},\n\tauthor = {Jian Liu and Mehdi Kargarian and Mikhail Kareev and Ben Gray and Phil J. Ryan and Alejandro Cruz and Nadeem Tahir and Yi-De Chuang and Jinghua Guo and James M. Rondinelli and John W. Freeland and Gregory A. Fiete and Jak Chakhalian},\n\ttitle = {{Heterointerface engineered electronic and magnetic phases of NdNiO$_3$ thin films}},\n\tjournal = {Nature Communications}\n}\n\n%31\n
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\n \n\n \n \n \n \n Turning ABO$_3$ Antiferroelectrics into Ferroelectrics: Design Rules for Practical Rotation-Driven Ferroelectricity in Double Perovskites and A$_3$B$_2$O$_7$ Ruddlesden-Popper Compounds.\n \n \n\n\n \n Mulder, A. T.; Benedek, N. A.; Rondinelli, J. M.; and Fennie, C. J.\n\n\n \n\n\n\n Advanced Functional Materials, 23: 4810-4820. may 2013.\n \n\n\n\n
\n\n\n\n \n \n \"TurningPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Mulder_2013,\n\tdoi = {10.1002/adfm.201300210},\n\turl = {https://doi.org/10.1002/adfm.201300210},\n\tyear = 2013,\n\tmonth = {may},\n\tpublisher = {Wiley},\n\tvolume = {23},\n\tpages = {4810-4820},\n\tauthor = {Andrew T. Mulder and Nicole A. Benedek and James M. Rondinelli and Craig J. Fennie},\n\ttitle = {{Turning ABO$_3$ Antiferroelectrics into Ferroelectrics: Design Rules for Practical Rotation-Driven Ferroelectricity in Double Perovskites and A$_3$B$_2$O$_7$ Ruddlesden-Popper Compounds}},\n\tjournal = {Advanced Functional Materials}\n}\n\n\n%30\n
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\n \n\n \n \n \n \n Interplay of octahedral rotations and breathing distortions in charge-ordering perovskite oxides.\n \n \n\n\n \n Balachandran, P. V.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review B, 88: 054101. Aug 2013.\n \n\n\n\n
\n\n\n\n \n \n \"InterplayPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Balachandran_2013,\n\ttitle = {Interplay of octahedral rotations and breathing distortions in charge-ordering perovskite oxides},\n\tauthor = {Balachandran, Prasanna V. and Rondinelli, James M.},\n\tjournal = {Physical Review B},\n\tvolume = {88},\n\tissue = {5},\n\tpages = {054101},\n\tnumpages = {13},\n\tyear = {2013},\n\tmonth = {Aug},\n\tpublisher = {American Physical Society},\n\tdoi = {10.1103/PhysRevB.88.054101},\n\turl = {https://link.aps.org/doi/10.1103/PhysRevB.88.054101}\n}\n\n\n%29\n
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\n \n\n \n \n \n \n Octahedral engineering of orbital polarizations in charge transfer oxides.\n \n \n\n\n \n Cammarata, A.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review B, 87(15): 155135. apr 2013.\n \n\n\n\n
\n\n\n\n \n \n \"OctahedralPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Cammarata_2013,\n\tdoi = {10.1103/physrevb.87.155135},\n\turl = {https://doi.org/10.1103/physrevb.87.155135},\n\tyear = 2013,\n\tmonth = {apr},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {87},\n\tnumber = {15},\n\tpages = {155135},\n\tauthor = {Antonio Cammarata and James M. Rondinelli},\n\ttitle = {Octahedral engineering of orbital polarizations in charge transfer oxides},\n\tjournal = {Physical Review B}\n}\n\n%28\n
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\n \n\n \n \n \n \n Normal mode determination of perovskite crystal structures with octahedral rotations: theory and applications.\n \n \n\n\n \n Islam, M. A; Rondinelli, J. M; and Spanier, J. E\n\n\n \n\n\n\n Journal of Physics: Condensed Matter, 25(17): 175902. apr 2013.\n \n\n\n\n
\n\n\n\n \n \n \"NormalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Islam_2013,\n\tdoi = {10.1088/0953-8984/25/17/175902},\n\turl = {https://dx.doi.org/10.1088/0953-8984/25/17/175902},\n\tyear = {2013},\n\tmonth = {apr},\n\tpublisher = {IOP Publishing},\n\tvolume = {25},\n\tnumber = {17},\n\tpages = {175902},\n\tauthor = {Mohammad A Islam and James M Rondinelli and Jonathan E Spanier},\n\ttitle = {Normal mode determination of perovskite crystal structures with octahedral rotations: theory and applications},\njournal = {Journal of Physics: Condensed Matter},\n}\n\n%27\n
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\n \n\n \n \n \n \n Correlation effects and spin-orbit interactions in two-dimensional hexagonal 5d transition metal carbides, Ta$_{n+1}$C$_n$ ($n=1,2,3$).\n \n \n\n\n \n Lane, N. J.; Barsoum, M. W.; and Rondinelli, J. M.\n\n\n \n\n\n\n EPL (Europhysics Letters), 101(5): 57004. mar 2013.\n \n\n\n\n
\n\n\n\n \n \n \"CorrelationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Lane_2013,\n\tdoi = {10.1209/0295-5075/101/57004},\n\turl = {https://doi.org/10.1209/0295-5075/101/57004},\n\tyear = 2013,\n\tmonth = {mar},\n\tpublisher = {{IOP} Publishing},\n\tvolume = {101},\n\tnumber = {5},\n\tpages = {57004},\n\tauthor = {Nina J. Lane and Michel W. Barsoum and James M. Rondinelli},\n\ttitle = {{Correlation effects and spin-orbit interactions in two-dimensional hexagonal 5d transition metal carbides, Ta$_{n+1}$C$_n$ ($n=1,2,3$)}},\n\tjournal = {{EPL} (Europhysics Letters)}\n}\n\n%26\n
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\n \n\n \n \n \n \n Interplay of Octahedral Tilts and Polar Order in BiFeO$_3$ Films.\n \n \n\n\n \n Kim, Y.; Kumar, A.; Hatt, A.; Morozovska, A. N.; Tselev, A.; Biegalski, M. D.; Ivanov, I.; Eliseev, E. A.; Pennycook, S. J.; Rondinelli, J. M.; Kalinin, S. V.; and Borisevich, A. Y.\n\n\n \n\n\n\n Advanced Materials, 25(17): 2497-2504. mar 2013.\n \n\n\n\n
\n\n\n\n \n \n \"InterplayPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Kim_2013,\n\tdoi = {10.1002/adma.201204584},\n\turl = {https://doi.org/10.1002/adma.201204584},\n\tyear = 2013,\n\tmonth = {mar},\n\tpublisher = {Wiley},\n\tvolume = {25},\n\tnumber = {17},\n\tpages = {2497-2504},\n\tauthor = {Young-Min Kim and Amit Kumar and Alison Hatt and Anna N. Morozovska and Alexander Tselev and Michael D. Biegalski and Ilya Ivanov and Eugene A. Eliseev and Stephen J. Pennycook and James M. Rondinelli and Sergei V. Kalinin and Albina Y. Borisevich},\n\ttitle = {{Interplay of Octahedral Tilts and Polar Order in BiFeO$_3$ Films}},\n\tjournal = {Advanced Materials}\n}\n\n%25\n
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\n \n\n \n \n \n \n Designing a Deep-Ultraviolet Nonlinear Optical Material with a Large Second Harmonic Generation Response.\n \n \n\n\n \n Wu, H.; Yu, H.; Yang, Z.; Hou, X.; Su, X.; Pan, S.; Poeppelmeier, K. R.; and Rondinelli, J. M.\n\n\n \n\n\n\n Journal of the American Chemical Society, 135(11): 4215-4218. mar 2013.\n \n\n\n\n
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@article{Wu_2013,\n\tdoi = {10.1021/ja400500m},\n\turl = {https://doi.org/10.1021/ja400500m},\n\tyear = 2013,\n\tmonth = {mar},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {135},\n\tnumber = {11},\n\tpages = {4215-4218},\n\tauthor = {Hongping Wu and Hongwei Yu and Zhihua Yang and Xueling Hou and Xin Su and Shilie Pan and Kenneth R. Poeppelmeier and James M. Rondinelli},\n\ttitle = {Designing a Deep-Ultraviolet Nonlinear Optical Material with a Large Second Harmonic Generation Response},\n\tjournal = {Journal of the American Chemical Society}\n}\n\n%24\n
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\n  \n 2012\n \n \n (6)\n \n \n
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\n \n\n \n \n \n \n Spin-assisted covalent bond mechanism in ``charge-ordering'' perovskite oxides.\n \n \n\n\n \n Cammarata, A.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review B, 86(19): 195144. nov 2012.\n \n\n\n\n
\n\n\n\n \n \n \"Spin-assistedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Cammarata_2012,\n\tdoi = {10.1103/physrevb.86.195144},\n\turl = {https://doi.org/10.1103/physrevb.86.195144},\n\tyear = 2012,\n\tmonth = {nov},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {86},\n\tnumber = {19},\n\tpages = {195144},\n\tauthor = {Antonio Cammarata and James M. Rondinelli},\n\ttitle = {Spin-assisted covalent bond mechanism in ``charge-ordering'' perovskite oxides},\n\tjournal = {Physical Review B}\n}\n\n%23\n
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\n \n\n \n \n \n \n Instrumental insights.\n \n \n\n\n \n Rondinelli, J. M.; and May, S. J.\n\n\n \n\n\n\n Nature Materials, 11(10): 833-834. sep 2012.\n \n\n\n\n
\n\n\n\n \n \n \"InstrumentalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Rondinelli_2012c,\n\tdoi = {10.1038/nmat3425},\n\turl = {https://doi.org/10.1038/nmat3425},\n\tyear = 2012,\n\tmonth = {sep},\n\tpublisher = {Springer Science and Business Media {LLC}},\n\tvolume = {11},\n\tnumber = {10},\n\tpages = {833-834},\n\tauthor = {James M. Rondinelli and Steven J. May},\n\ttitle = {Instrumental insights},\n\tjournal = {Nature Materials}\n}\n\n%22\n
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\n \n\n \n \n \n \n Strain-controlled band engineering and self-doping in ultrathin LaNiO$_{3}$ films.\n \n \n\n\n \n Moon, E. J.; Rondinelli, J. M.; Prasai, N.; Gray, B. A.; Kareev, M.; Chakhalian, J.; and Cohn, J. L.\n\n\n \n\n\n\n Physical Review B, 85(12): 121106. mar 2012.\n \n\n\n\n
\n\n\n\n \n \n \"Strain-controlledPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Moon_2012,\n\tdoi = {10.1103/physrevb.85.121106},\n\turl = {https://doi.org/10.1103/physrevb.85.121106},\n\tyear = 2012,\n\tmonth = {mar},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {85},\n\tnumber = {12},\n\tpages = {121106},\n\tauthor = {E. J. Moon and J. M. Rondinelli and N. Prasai and B. A. Gray and M. Kareev and J. Chakhalian and J. L. Cohn},\n\ttitle = {{Strain-controlled band engineering and self-doping in ultrathin LaNiO$_{3}$ films}},\n\tjournal = {Physical Review B}\n}\n\n%21\n
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\n \n\n \n \n \n \n Octahedral Rotation-Induced Ferroelectricity in Cation Ordered Perovskites.\n \n \n\n\n \n Rondinelli, J. M.; and Fennie, C. J.\n\n\n \n\n\n\n Advanced Materials, 24(15): 1961-1968. apr 2012.\n \n\n\n\n
\n\n\n\n \n \n \"OctahedralPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Rondinelli_2012b,\n\tdoi = {10.1002/adma.201104674},\n\turl = {https://doi.org/10.1002/adma.201104674},\n\tyear = 2012,\n\tmonth = {apr},\n\tpublisher = {Wiley},\n\tvolume = {24},\n\tnumber = {15},\n\tpages = {1961-1968},\n\tauthor = {James M. Rondinelli and Craig J. Fennie},\n\ttitle = {{Octahedral Rotation-Induced Ferroelectricity in Cation Ordered Perovskites}},\n\tjournal = {Advanced Materials}\n}\n\n%20\n
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\n \n\n \n \n \n \n Control of octahedral connectivity in perovskite oxide heterostructures: An emerging route to multifunctional materials discovery.\n \n \n\n\n \n Rondinelli, J. M.; May, S. J.; and Freeland, J. W.\n\n\n \n\n\n\n MRS Bulletin, 37(3): 261-270. mar 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ControlPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Rondinelli_2012a,\n\tdoi = {10.1557/mrs.2012.49},\n\turl = {https://doi.org/10.1557/mrs.2012.49},\n\tyear = 2012,\n\tmonth = {mar},\n\tpublisher = {Springer Science and Business Media {LLC}},\n\tvolume = {37},\n\tnumber = {3},\n\tpages = {261-270},\n\tauthor = {James M. Rondinelli and Steven J. May and John W. Freeland},\n\ttitle = {Control of octahedral connectivity in perovskite oxide heterostructures: An emerging route to multifunctional materials discovery},\n\tjournal = {{MRS} Bulletin}\n}\n\n%19\n
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\n \n\n \n \n \n \n Whither the oxide interface.\n \n \n\n\n \n Chakhalian, J.; Millis, A. J.; and Rondinelli, J.\n\n\n \n\n\n\n Nature Materials, 11(2): 92-94. jan 2012.\n \n\n\n\n
\n\n\n\n \n \n \"WhitherPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Chakhalian_2012,\n\tdoi = {10.1038/nmat3225},\n\turl = {https://doi.org/10.1038/nmat3225},\n\tyear = 2012,\n\tmonth = {jan},\n\tpublisher = {Springer Science and Business Media {LLC}},\n\tvolume = {11},\n\tnumber = {2},\n\tpages = {92-94},\n\tauthor = {J. Chakhalian and A. J. Millis and J. Rondinelli},\n\ttitle = {Whither the oxide interface},\n\tjournal = {Nature Materials}\n}\n\n%18\n
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\n  \n 2011\n \n \n (6)\n \n \n
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\n \n\n \n \n \n \n First-principles study of misfit strain-stabilized ferroelectric SnTiO$_3$.\n \n \n\n\n \n Parker, W. D.; Rondinelli, J. M.; and Nakhmanson, S. M.\n\n\n \n\n\n\n Physical Review B, 84(24): 245126. dec 2011.\n \n\n\n\n
\n\n\n\n \n \n \"First-principlesPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Parker_2011,\n\tdoi = {10.1103/physrevb.84.245126},\n\turl = {https://doi.org/10.1103/physrevb.84.245126},\n\tyear = 2011,\n\tmonth = {dec},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {84},\n\tnumber = {24},\n\tpages = {245126},\n\tauthor = {William D. Parker and James M. Rondinelli and S. M. Nakhmanson},\n\ttitle = {{First-principles study of misfit strain-stabilized ferroelectric {SnTiO}$_3$}},\n\tjournal = {Physical Review B}\n}\n\n%17\n
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\n \n\n \n \n \n \n Lattice normal modes and electronic properties of the correlated metal LaNiO$_3$.\n \n \n\n\n \n Gou, G.; Grinberg, I.; Rappe, A. M.; and Rondinelli, J. M.\n\n\n \n\n\n\n Physical Review B, 84(14): 144101. oct 2011.\n \n\n\n\n
\n\n\n\n \n \n \"LatticePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Gou_2011,\n\tdoi = {10.1103/physrevb.84.144101},\n\turl = {https://doi.org/10.1103/physrevb.84.144101},\n\tyear = 2011,\n\tmonth = {oct},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {84},\n\tnumber = {14},\n\tpages = {144101},\n\tauthor = {Gaoyang Gou and Ilya Grinberg and Andrew M. Rappe and James M. Rondinelli},\n\ttitle = {{Lattice normal modes and electronic properties of the correlated metal LaNiO$_3$}},\n\tjournal = {Physical Review B}\n}\n\n%16\n
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\n \n\n \n \n \n \n Asymmetric Orbital-Lattice Interactions in Ultrathin Correlated Oxide Films.\n \n \n\n\n \n Chakhalian, J.; Rondinelli, J. M.; Liu, J.; Gray, B. A.; Kareev, M.; Moon, E. J.; Prasai, N.; Cohn, J. L.; Varela, M.; Tung, I. C.; Bedzyk, M. J.; Altendorf, S. G.; Strigari, F.; Dabrowski, B.; Tjeng, L. H.; Ryan, P. J.; and Freeland, J. W.\n\n\n \n\n\n\n Physical Review Letters, 107(11): 116805. sep 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AsymmetricPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Chakhalian_2011,\n\tdoi = {10.1103/physrevlett.107.116805},\n\turl = {https://doi.org/10.1103/physrevlett.107.116805},\n\tyear = 2011,\n\tmonth = {sep},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {107},\n\tnumber = {11},\n\tpages = {116805},\n\tauthor = {J. Chakhalian and J. M. Rondinelli and Jian Liu and B. A. Gray and M. Kareev and E. J. Moon and N. Prasai and J. L. Cohn and M. Varela and I. C. Tung and M. J. Bedzyk and S. G. Altendorf and F. Strigari and B. Dabrowski and L. H. Tjeng and P. J. Ryan and J. W. Freeland},\n\ttitle = {{Asymmetric Orbital-Lattice Interactions in Ultrathin Correlated Oxide Films}},\n\tjournal = {Physical Review Letters}\n}\n\n%15\n
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\n \n\n \n \n \n \n Structure and Properties of Functional Oxide Thin Films: Insights From Electronic-Structure Calculations.\n \n \n\n\n \n Rondinelli, J. M.; and Spaldin, N. A.\n\n\n \n\n\n\n Advanced Materials, 23(30): 3363-3381. jul 2011.\n \n\n\n\n
\n\n\n\n \n \n \"StructurePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Rondinelli_2011b,\n\tdoi = {10.1002/adma.201101152},\n\turl = {https://doi.org/10.1002/adma.201101152},\n\tyear = 2011,\n\tmonth = {jul},\n\tpublisher = {Wiley},\n\tvolume = {23},\n\tnumber = {30},\n\tpages = {3363-3381},\n\tauthor = {James M. Rondinelli and Nicola A. Spaldin},\n\ttitle = {{Structure and Properties of Functional Oxide Thin Films: Insights From Electronic-Structure Calculations}},\n\tjournal = {Advanced Materials}\n}\n\n%14\n
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\n \n\n \n \n \n \n Large Isosymmetric Reorientation of Oxygen Octahedra Rotation Axes in Epitaxially Strained Perovskites.\n \n \n\n\n \n Rondinelli, J. M.; and Coh, S.\n\n\n \n\n\n\n Physical Review Letters, 106(23): 235502. jun 2011.\n \n\n\n\n
\n\n\n\n \n \n \"LargePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Rondinelli_2011a,\n\tdoi = {10.1103/physrevlett.106.235502},\n\turl = {https://doi.org/10.1103/physrevlett.106.235502},\n\tyear = 2011,\n\tmonth = {jun},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {106},\n\tnumber = {23},\n\tpages = {235502},\n\tauthor = {James M. Rondinelli and Sinisa Coh},\n\ttitle = {{Large Isosymmetric Reorientation of Oxygen Octahedra Rotation Axes in Epitaxially Strained Perovskites}},\n\tjournal = {Physical Review Letters}\n}\n\n%13\n
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\n \n\n \n \n \n \n K$_3$B$_6$O$_{10}$Cl: A New Structure Analogous to Perovskite with a Large Second Harmonic Generation Response and Deep UV Absorption Edge.\n \n \n\n\n \n Wu, H.; Pan, S.; Poeppelmeier, K. R.; Li, H.; Jia, D.; Chen, Z.; Fan, X.; Yang, Y.; Rondinelli, J. M.; and Luo, H.\n\n\n \n\n\n\n Journal of the American Chemical Society, 133(20): 7786-7790. may 2011.\n \n\n\n\n
\n\n\n\n \n \n \"K$_3$B$_6$O$_{10}$Cl:Paper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Wu_2011,\n\tdoi = {10.1021/ja111083x},\n\turl = {https://doi.org/10.1021/ja111083x},\n\tyear = 2011,\n\tmonth = {may},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {133},\n\tnumber = {20},\n\tpages = {7786-7790},\n\tauthor = {Hongping Wu and Shilie Pan and Kenneth R. Poeppelmeier and Hongyi Li and Dianzeng Jia and Zhaohui Chen and Xiaoyun Fan and Yun Yang and James M. Rondinelli and Haosu Luo},\n\ttitle = {{K$_3$B$_6$O$_{10}$Cl: A New Structure Analogous to Perovskite with a Large Second Harmonic Generation Response and Deep {UV} Absorption Edge}},\n\tjournal = {Journal of the American Chemical Society}\n}\n\n%12\n
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\n  \n 2010\n \n \n (3)\n \n \n
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\n \n\n \n \n \n \n Substrate coherency driven octahedral rotations in perovskite oxide films.\n \n \n\n\n \n Rondinelli, J. M.; and Spaldin, N. A.\n\n\n \n\n\n\n Physical Review B, 82(11): 113402. sep 2010.\n \n\n\n\n
\n\n\n\n \n \n \"SubstratePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Rondinelli_2010b,\n\tdoi = {10.1103/physrevb.82.113402},\n\turl = {https://doi.org/10.1103/physrevb.82.113402},\n\tyear = 2010,\n\tmonth = {sep},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {82},\n\tnumber = {11},\n\tpages = {113402},\n\tauthor = {James M. Rondinelli and Nicola A. Spaldin},\n\ttitle = {Substrate coherency driven octahedral rotations in perovskite oxide films},\n\tjournal = {Physical Review B}\n}\n\n%11\n
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\n \n\n \n \n \n \n Quantifying octahedral rotations in strained perovskite oxide films.\n \n \n\n\n \n May, S. J.; Kim, J.; Rondinelli, J. M.; Karapetrova, E.; Spaldin, N. A.; Bhattacharya, A.; and Ryan, P. J.\n\n\n \n\n\n\n Physical Review B, 82(1): 014110. jul 2010.\n \n\n\n\n
\n\n\n\n \n \n \"QuantifyingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{May_2010,\n\tdoi = {10.1103/physrevb.82.014110},\n\turl = {https://doi.org/10.1103/physrevb.82.014110},\n\tyear = 2010,\n\tmonth = {jul},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {82},\n\tnumber = {1},\n\tpages = {014110},\n\tauthor = {S. J. May and J.-W. Kim and J. M. Rondinelli and E. Karapetrova and N. A. Spaldin and A. Bhattacharya and P. J. Ryan},\n\ttitle = {Quantifying octahedral rotations in strained perovskite oxide films},\n\tjournal = {Physical Review B}\n}\n\n%10\n
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\n \n\n \n \n \n \n Electron-lattice instabilities suppress cuprate-like electronic structures in SrFeO$_{3}$/SrTiO$_{3}$ superlattices.\n \n \n\n\n \n Rondinelli, J. M.; and Spaldin, N. A.\n\n\n \n\n\n\n Physical Review B, 81(8): 085109. feb 2010.\n \n\n\n\n
\n\n\n\n \n \n \"Electron-latticePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Rondinelli_2010a,\n\tdoi = {10.1103/physrevb.81.085109},\n\turl = {https://doi.org/10.1103/physrevb.81.085109},\n\tyear = 2010,\n\tmonth = {feb},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {81},\n\tnumber = {8},\n\tpages = {085109},\n\tauthor = {James M. Rondinelli and Nicola A. Spaldin},\n\ttitle = {{Electron-lattice instabilities suppress cuprate-like electronic structures in SrFeO$_{3}$/SrTiO$_{3}$ superlattices}},\n\tjournal = {Physical Review B}\n}\n\n%09\n
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\n  \n 2009\n \n \n (2)\n \n \n
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\n \n\n \n \n \n \n Non-${d}^{0}$ Mn-driven ferroelectricity in antiferromagnetic BaMnO$_{3}$.\n \n \n\n\n \n Rondinelli, J. M.; Eidelson, A. S.; and Spaldin, N. A.\n\n\n \n\n\n\n Physical Review B, 79(20): 205119. may 2009.\n \n\n\n\n
\n\n\n\n \n \n \"Non-${d}^{0}$Paper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Rondinelli_2009b,\n\tdoi = {10.1103/physrevb.79.205119},\n\turl = {https://doi.org/10.1103/physrevb.79.205119},\n\tyear = 2009,\n\tmonth = {may},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {79},\n\tnumber = {20},\n\tpages = {205119},\n\tauthor = {James M. Rondinelli and Aaron S. Eidelson and Nicola A. Spaldin},\n\ttitle = {{Non-${d}^{0}$ Mn-driven ferroelectricity in antiferromagnetic BaMnO$_{3}$}},\n\tjournal = {Physical Review B}\n}\n\n%08\n
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\n \n\n \n \n \n \n Structural effects on the spin-state transition in epitaxially strained LaCoO$_{3}$ films.\n \n \n\n\n \n Rondinelli, J. M.; and Spaldin, N. A.\n\n\n \n\n\n\n Physical Review B, 79(5): 054409. feb 2009.\n \n\n\n\n
\n\n\n\n \n \n \"StructuralPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Rondinelli_2009a,\n\tdoi = {10.1103/physrevb.79.054409},\n\turl = {https://doi.org/10.1103/physrevb.79.054409},\n\tyear = 2009,\n\tmonth = {feb},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {79},\n\tnumber = {5},\n\tpages = {054409},\n\tauthor = {James M. Rondinelli and Nicola A. Spaldin},\n\ttitle = {{Structural effects on the spin-state transition in epitaxially strained LaCoO$_{3}$ films}},\n\tjournal = {Physical Review B}\n}\n\n%07\n
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\n  \n 2008\n \n \n (2)\n \n \n
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\n \n\n \n \n \n \n Electronic properties of bulk and thin film SrRuO$_{3}$: Search for the metal-insulator transition.\n \n \n\n\n \n Rondinelli, J. M.; Caffrey, N. M.; Sanvito, S.; and Spaldin, N. A.\n\n\n \n\n\n\n Physical Review B, 78(15): 155107. oct 2008.\n \n\n\n\n
\n\n\n\n \n \n \"ElectronicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Rondinelli_2008b,\n\tdoi = {10.1103/physrevb.78.155107},\n\turl = {https://doi.org/10.1103/physrevb.78.155107},\n\tyear = 2008,\n\tmonth = {oct},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {78},\n\tnumber = {15},\n\tpages = {155107},\n\tauthor = {James M. Rondinelli and Nuala M. Caffrey and Stefano Sanvito and Nicola A. Spaldin},\n\ttitle = {{Electronic properties of bulk and thin film SrRuO$_{3}$: Search for the metal-insulator transition}},\n\tjournal = {Physical Review B}\n}\n\n%06\n
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\n \n\n \n \n \n \n Carrier-mediated magnetoelectricity in complex oxide heterostructures.\n \n \n\n\n \n Rondinelli, J. M.; Stengel, M.; and Spaldin, N. A.\n\n\n \n\n\n\n Nature Nanotechnology, 3(1): 46-50. dec 2008.\n \n\n\n\n
\n\n\n\n \n \n \"Carrier-mediatedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Rondinelli_2008a,\n\tdoi = {10.1038/nnano.2007.412},\n\turl = {https://doi.org/10.1038/nnano.2007.412},\n\tyear = 2008,\n\tmonth = {dec},\n\tpublisher = {Springer Science and Business Media {LLC}},\n\tvolume = {3},\n\tnumber = {1},\n\tpages = {46-50},\n\tauthor = {James M. Rondinelli and Massimiliano Stengel and Nicola A. Spaldin},\n\ttitle = {Carrier-mediated magnetoelectricity in complex oxide heterostructures},\n\tjournal = {Nature Nanotechnology}\n}\n\n%05\n
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\n  \n 2007\n \n \n (3)\n \n \n
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\n \n\n \n \n \n \n Surface Reconstruction with a Fractional Hole: $(\\sqrt{5}×\\sqrt{5})R26.6^∘$LaAlO$_{3}$ (001).\n \n \n\n\n \n Lanier, C. H.; Rondinelli, J. M.; Deng, B.; Kilaas, R.; Poeppelmeier, K. R.; and Marks, L. D.\n\n\n \n\n\n\n Physical Review Letters, 98(8): 086102. feb 2007.\n \n\n\n\n
\n\n\n\n \n \n \"SurfacePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Lanier_2007,\n\tdoi = {10.1103/physrevlett.98.086102},\n\turl = {https://doi.org/10.1103/physrevlett.98.086102},\n\tyear = 2007,\n\tmonth = {feb},\n\tpublisher = {American Physical Society ({APS})},\n\tvolume = {98},\n\tnumber = {8},\n\tpages = {086102},\n\tauthor = {C. H. Lanier and J. M. Rondinelli and B. Deng and R. Kilaas and K. R. Poeppelmeier and L. D. Marks},\n\ttitle = {{Surface Reconstruction with a Fractional Hole: $(\\sqrt{5}\\times\\sqrt{5})R26.6^\\circ$LaAlO$_{3}$ (001)}},\n\tjournal = {Physical Review Letters}\n}\n\n%04\n
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\n \n\n \n \n \n \n Enhancing structure relaxations for first-principles codes: An approximate Hessian approach.\n \n \n\n\n \n Rondinelli, J. M.; Deng, B.; and Marks, L. D.\n\n\n \n\n\n\n Computational Materials Science, 40(3): 345-353. sep 2007.\n \n\n\n\n
\n\n\n\n \n \n \"EnhancingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Rondinelli_2007,\n\tdoi = {10.1016/j.commatsci.2007.01.004},\n\turl = {https://doi.org/10.1016/j.commatsci.2007.01.004},\n\tyear = 2007,\n\tmonth = {sep},\n\tpublisher = {Elsevier {BV}},\n\tvolume = {40},\n\tnumber = {3},\n\tpages = {345-353},\n\tauthor = {James M. Rondinelli and Bin Deng and Laurence D. Marks},\n\ttitle = {Enhancing structure relaxations for first-principles codes: An approximate Hessian approach},\n\tjournal = {Computational Materials Science}\n}\n\n%03\n
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\n \n\n \n \n \n \n Charge defects glowing in the dark.\n \n \n\n\n \n Deng, B.; Marks, L. D.; and Rondinelli, J. M.\n\n\n \n\n\n\n Ultramicroscopy, 107(4-5): 374-381. apr 2007.\n \n\n\n\n
\n\n\n\n \n \n \"ChargePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Deng_2007,\n\tdoi = {10.1016/j.ultramic.2006.10.001},\n\turl = {https://doi.org/10.1016/j.ultramic.2006.10.001},\n\tyear = 2007,\n\tmonth = {apr},\n\tpublisher = {Elsevier {BV}},\n\tvolume = {107},\n\tnumber = {4-5},\n\tpages = {374-381},\n\tauthor = {Bin Deng and Laurence D. Marks and James M. Rondinelli},\n\ttitle = {Charge defects glowing in the dark},\n\tjournal = {Ultramicroscopy}\n}\n\n%02\n
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\n  \n 2006\n \n \n (2)\n \n \n
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\n \n\n \n \n \n \n Three-Dimensionally Ordered Macroporous Li$_4$Ti$_5$O$_{12}$: Effect of Wall Structure on Electrochemical Properties.\n \n \n\n\n \n Sorensen, E. M.; Barry, S. J.; Jung, H.; Rondinelli, J. M.; Vaughey, J. T.; and Poeppelmeier, K. R.\n\n\n \n\n\n\n Chemistry of Materials, 18(2): 482-489. dec 2006.\n \n\n\n\n
\n\n\n\n \n \n \"Three-DimensionallyPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{Sorensen_2006,\n\tdoi = {10.1021/cm052203y},\n\turl = {https://doi.org/10.1021/cm052203y},\n\tyear = 2006,\n\tmonth = {dec},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {18},\n\tnumber = {2},\n\tpages = {482-489},\n\tauthor = {Erin M. Sorensen and Scott J. Barry and Ha-Kyun Jung and James M. Rondinelli and John T. Vaughey and Kenneth R. Poeppelmeier},\n\ttitle = {{Three-Dimensionally Ordered Macroporous Li$_4$Ti$_5$O$_{12}$: Effect of Wall Structure on Electrochemical Properties}},\n\tjournal = {Chemistry of Materials}\n}\n\n\n%01\n
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\n \n\n \n \n \n \n Spectral manipulation in Fabry-Perot lasers: perturbative inverse scattering approach.\n \n \n\n\n \n O'Brien, S.; Amann, A.; Fehse, R.; Osborne, S.; O'Reilly, E. P.; and Rondinelli, J. M.\n\n\n \n\n\n\n Journal of the Optical Society of America B, 23(6): 1046. jun 2006.\n \n\n\n\n
\n\n\n\n \n \n \"SpectralPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{O_Brien_2006,\n\tdoi = {10.1364/josab.23.001046},\n\turl = {https://doi.org/10.1364/josab.23.001046},\n\tyear = 2006,\n\tmonth = {jun},\n\tpublisher = {The Optical Society},\n\tvolume = {23},\n\tnumber = {6},\n\tpages = {1046},\n\tauthor = {Stephen O'Brien and Andreas Amann and Robin Fehse and Simon Osborne and Eoin P. O'Reilly and James M. Rondinelli},\n\ttitle = {Spectral manipulation in Fabry-Perot lasers: perturbative inverse scattering approach},\n\tjournal = {Journal of the Optical Society of America B}\n}
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