Lattice dynamics in $\{{\}mathrm\{{PbMg}\}\}_\{1∕3\}\{{\}mathrm\{{Nb}\}\}_\{2∕3\}\{{\}mathrm\{{O}\}\}_\{3\}$. Prosandeev, S. A., Cockayne, E., Burton, B. P., Kamba, S., Petzelt, J., Yuzyuk, Y., Katiyar, R. S., & Vakhrushev, S. B. *Physical Review B*, 70(13):134110, October, 2004. Publisher: American Physical SocietyPaper doi abstract bibtex Lattice dynamics for five ordered PbMg1∕3Nb2∕3O3 supercells were calculated from first principles by the frozen phonon method. Maximal symmetries of all supercells are reduced by structural instabilities. Lattice modes corresponding to these instabilities, equilibrium ionic positions, and infrared reflectivity spectra were computed for all supercells. Results are compared with our experimental data for a chemically disordered PMN single crystal.

@article{prosandeev_lattice_2004,
title = {Lattice dynamics in \$\{{\textbackslash}mathrm\{{PbMg}\}\}\_\{1∕3\}\{{\textbackslash}mathrm\{{Nb}\}\}\_\{2∕3\}\{{\textbackslash}mathrm\{{O}\}\}\_\{3\}\$},
volume = {70},
url = {https://link.aps.org/doi/10.1103/PhysRevB.70.134110},
doi = {10.1103/PhysRevB.70.134110},
abstract = {Lattice dynamics for five ordered PbMg1∕3Nb2∕3O3 supercells were calculated from first principles by the frozen phonon method. Maximal symmetries of all supercells are reduced by structural instabilities. Lattice modes corresponding to these instabilities, equilibrium ionic positions, and infrared reflectivity spectra were computed for all supercells. Results are compared with our experimental data for a chemically disordered PMN single crystal.},
number = {13},
urldate = {2023-11-11},
journal = {Physical Review B},
author = {Prosandeev, S. A. and Cockayne, E. and Burton, B. P. and Kamba, S. and Petzelt, J. and Yuzyuk, Yu. and Katiyar, R. S. and Vakhrushev, S. B.},
month = oct,
year = {2004},
note = {Publisher: American Physical Society},
pages = {134110},
}

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