Инд. авторы:	Krylov A.S., Goryainov S.V., Vtyurin A.N., Krylova S.N., Sofronova S.N., Laptash N.M., Emelina T.B., Voronov V.N., Babushkin S.V.
Заглавие:	Raman scattering study of temperature and hydrostatic pressure phase transitions in Rb 2KTiOF 5 crystal
Библ. ссылка:	Krylov A.S., Goryainov S.V., Vtyurin A.N., Krylova S.N., Sofronova S.N., Laptash N.M., Emelina T.B., Voronov V.N., Babushkin S.V. Raman scattering study of temperature and hydrostatic pressure phase transitions in Rb 2KTiOF 5 crystal // Journal of Raman Spectroscopy. - 2012. - Vol.43. - Iss. 4. - P.577-582. - ISSN 0377-0486. - EISSN 1097-4555.
Внешние системы:	DOI: 10.1002/jrs.3071; SCOPUS: 2-s2.0-84859950353;
Реферат:	eng: Raman spectra of Rb 2KTiOF 5 crystal were obtained and analyzed in the temperature range from 77 to 297 K and under hydrostatic pressure up to 4.2 GPa (at T = 295 K). The experimental results were compared with quantum-chemical simulation of TiOF 5 pseudo-octahedron. To interpret effects of lattice ordering, phonon spectra of several ordered phases of Rb 2KTiOF 5 were calculated within ab initio generalized Gordon-Kim model, and ordering of TiOF 5 molecular groups were simulated within Monte Carlo approach. The spectra exhibited orientation disordering in the cubic phase under ambient conditions. Cooling below the phase transition temperature (215 K) leads to partial ordering of the structure. The isotropic perovskite-like phase was found to undergo first-order transition into a low-symmetry anisotropic phase at about 1 GPa. Further compression up to 4.1 GPa did not show any effects associated with phase transitions. © 2011 John Wiley & Sons, Ltd.
Ключевые слова:	structural phase transition; Rb 2KTiOF 5; Raman spectroscopy; hysteresis; hydrostatic pressure;
Издано:	2012
Физ. характеристика:	с.577-582