Phonon spectra of Cu₆PS₅Br superionic ferroelastic: experimental and theoretical studies

• Published in: Condensed Matter Physics
• Date: 2007
• Main Authors: Studenyak, I.P., Rushchanskii, K.Z., Buchuk, R.Yu., Stephanovich, V.O.
• Format: Article
• Language: English
• Published: Інститут фізики конденсованих систем НАН України 2007
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/117912
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Phonon spectra of Cu₆PS₅Br superionic ferroelastic: experimental and theoretical studies / I.P. Studenyak, K.Z. Rushchanskii, R.Yu. Buchuk, V.O. Stephanovich // Condensed Matter Physics. — 2007. — Т. 10, № 1(49). — С. 11-16. — Бібліогр.: 26 назв. — англ.

The anomalous temperature behavior of the Raman scattering bands at superionic phase transition of Cu₆PS₅Br is revealed. Using density functional perturbation theory within local density approximation, ab initio long-wavelength phonons have been obtained for high-symmetry cubic structure. In the cal...