Polarity compensation mechanisms on the perovskite surface KTaO$_3$(001). Setvin, M., Reticcioli, M., Poelzleitner, F., Hulva, J., Schmid, M., Boatner, L. A., Franchini, C., & Diebold, U. Science, 359(6375):572–575, feb, 2018. Paper doi abstract bibtex The stacking of alternating charged planes in ionic crystals creates a diverging electrostatic energy—a “polar catastrophe”—that must be compensated at the surface. We used scanning probe microscopies and density functional theory to study compensation mechanisms at the perovskite potassium tantalate (KTaO$_3$) (001) surface as increasing degrees of freedom were enabled. The as-cleaved surface in vacuum is frozen in place but immediately responds with an insulator-to-metal transition and possibly ferroelectric lattice distortions. Annealing in vacuum allows the formation of isolated oxygen vacancies, followed by a complete rearrangement of the top layers into an ordered pattern of KO and TaO2 stripes. The optimal solution is found after exposure to water vapor through the formation of a hydroxylated overlayer with ideal geometry and charge.
@article{Setvin2018a,
abstract = {The stacking of alternating charged planes in ionic crystals creates a diverging electrostatic energy—a “polar catastrophe”—that must be compensated at the surface. We used scanning probe microscopies and density functional theory to study compensation mechanisms at the perovskite potassium tantalate (KTaO$_3$) (001) surface as increasing degrees of freedom were enabled. The as-cleaved surface in vacuum is frozen in place but immediately responds with an insulator-to-metal transition and possibly ferroelectric lattice distortions. Annealing in vacuum allows the formation of isolated oxygen vacancies, followed by a complete rearrangement of the top layers into an ordered pattern of KO and TaO2 stripes. The optimal solution is found after exposure to water vapor through the formation of a hydroxylated overlayer with ideal geometry and charge.},
author = {Setvin, Martin and Reticcioli, Michele and Poelzleitner, Flora and Hulva, Jan and Schmid, Michael and Boatner, Lynn A. and Franchini, Cesare and Diebold, Ulrike},
doi = {10.1126/science.aar2287},
issn = {10959203},
journal = {Science},
month = {feb},
number = {6375},
pages = {572--575},
pmid = {29420289},
title = {{Polarity compensation mechanisms on the perovskite surface KTaO$_3$(001)}},
url = {http://www.sciencemag.org/lookup/doi/10.1126/science.aar2287},
volume = {359},
year = {2018}
}
%@article{Pacchioni2017,
%author = {Pacchioni, Giulia},
%doi = {10.1038/natrevmats.2017.71},
%issn = {2058-8437},
%journal = {Nature Reviews Materials},
%month = {oct},
%pages = {17071},
%publisher = {Macmillan Publishers Limited},
%title = {{Surface reconstructions: Polaron bricklayers at work}},
%url = {http://dx.doi.org/10.1038/natrevmats.2017.71 http://www.nature.com/articles/natrevmats201771 http://rdcu.be/wPGl},
%volume = {2},
%year = {2017}
%}
Downloads: 0
{"_id":"jGzHdQXxJea6GiZfC","bibbaseid":"setvin-reticcioli-poelzleitner-hulva-schmid-boatner-franchini-diebold-polaritycompensationmechanismsontheperovskitesurfacektao3001-2018","downloads":3,"creationDate":"2018-12-23T14:46:18.748Z","title":"Polarity compensation mechanisms on the perovskite surface KTaO$_3$(001)","author_short":["Setvin, M.","Reticcioli, M.","Poelzleitner, F.","Hulva, J.","Schmid, M.","Boatner, L. A.","Franchini, C.","Diebold, U."],"year":2018,"bibtype":"article","biburl":"https://homepage.univie.ac.at/michele.reticcioli/biblio/mypapers.bib","bibdata":{"bibtype":"article","type":"article","abstract":"The stacking of alternating charged planes in ionic crystals creates a diverging electrostatic energy—a “polar catastrophe”—that must be compensated at the surface. We used scanning probe microscopies and density functional theory to study compensation mechanisms at the perovskite potassium tantalate (KTaO$_3$) (001) surface as increasing degrees of freedom were enabled. The as-cleaved surface in vacuum is frozen in place but immediately responds with an insulator-to-metal transition and possibly ferroelectric lattice distortions. Annealing in vacuum allows the formation of isolated oxygen vacancies, followed by a complete rearrangement of the top layers into an ordered pattern of KO and TaO2 stripes. The optimal solution is found after exposure to water vapor through the formation of a hydroxylated overlayer with ideal geometry and charge.","author":[{"propositions":[],"lastnames":["Setvin"],"firstnames":["Martin"],"suffixes":[]},{"propositions":[],"lastnames":["Reticcioli"],"firstnames":["Michele"],"suffixes":[]},{"propositions":[],"lastnames":["Poelzleitner"],"firstnames":["Flora"],"suffixes":[]},{"propositions":[],"lastnames":["Hulva"],"firstnames":["Jan"],"suffixes":[]},{"propositions":[],"lastnames":["Schmid"],"firstnames":["Michael"],"suffixes":[]},{"propositions":[],"lastnames":["Boatner"],"firstnames":["Lynn","A."],"suffixes":[]},{"propositions":[],"lastnames":["Franchini"],"firstnames":["Cesare"],"suffixes":[]},{"propositions":[],"lastnames":["Diebold"],"firstnames":["Ulrike"],"suffixes":[]}],"doi":"10.1126/science.aar2287","issn":"10959203","journal":"Science","month":"feb","number":"6375","pages":"572–575","pmid":"29420289","title":"Polarity compensation mechanisms on the perovskite surface KTaO$_3$(001)","url":"http://www.sciencemag.org/lookup/doi/10.1126/science.aar2287","volume":"359","year":"2018","bibtex":"@article{Setvin2018a,\nabstract = {The stacking of alternating charged planes in ionic crystals creates a diverging electrostatic energy—a “polar catastrophe”—that must be compensated at the surface. We used scanning probe microscopies and density functional theory to study compensation mechanisms at the perovskite potassium tantalate (KTaO$_3$) (001) surface as increasing degrees of freedom were enabled. The as-cleaved surface in vacuum is frozen in place but immediately responds with an insulator-to-metal transition and possibly ferroelectric lattice distortions. Annealing in vacuum allows the formation of isolated oxygen vacancies, followed by a complete rearrangement of the top layers into an ordered pattern of KO and TaO2 stripes. The optimal solution is found after exposure to water vapor through the formation of a hydroxylated overlayer with ideal geometry and charge.},\nauthor = {Setvin, Martin and Reticcioli, Michele and Poelzleitner, Flora and Hulva, Jan and Schmid, Michael and Boatner, Lynn A. and Franchini, Cesare and Diebold, Ulrike},\ndoi = {10.1126/science.aar2287},\nissn = {10959203},\njournal = {Science},\nmonth = {feb},\nnumber = {6375},\npages = {572--575},\npmid = {29420289},\ntitle = {{Polarity compensation mechanisms on the perovskite surface KTaO$_3$(001)}},\nurl = {http://www.sciencemag.org/lookup/doi/10.1126/science.aar2287},\nvolume = {359},\nyear = {2018}\n}\n\n\n%@article{Pacchioni2017,\n%author = {Pacchioni, Giulia},\n%doi = {10.1038/natrevmats.2017.71},\n%issn = {2058-8437},\n%journal = {Nature Reviews Materials},\n%month = {oct},\n%pages = {17071},\n%publisher = {Macmillan Publishers Limited},\n%title = {{Surface reconstructions: Polaron bricklayers at work}},\n%url = {http://dx.doi.org/10.1038/natrevmats.2017.71 http://www.nature.com/articles/natrevmats201771 http://rdcu.be/wPGl},\n%volume = {2},\n%year = {2017}\n%}\n\n\n","author_short":["Setvin, M.","Reticcioli, M.","Poelzleitner, F.","Hulva, J.","Schmid, M.","Boatner, L. A.","Franchini, C.","Diebold, U."],"key":"Setvin2018a","id":"Setvin2018a","bibbaseid":"setvin-reticcioli-poelzleitner-hulva-schmid-boatner-franchini-diebold-polaritycompensationmechanismsontheperovskitesurfacektao3001-2018","role":"author","urls":{"Paper":"http://www.sciencemag.org/lookup/doi/10.1126/science.aar2287"},"metadata":{"authorlinks":{}}},"search_terms":["polarity","compensation","mechanisms","perovskite","surface","ktao","001","setvin","reticcioli","poelzleitner","hulva","schmid","boatner","franchini","diebold"],"keywords":[],"authorIDs":[],"dataSources":["M6tTtjYTAMHEhFPDR","cqEdoyeYe9jeKbbYJ"]}