Calculating the Lattice Dynamics in the RFe3(BO3)4 Crystals in the Quasi-Harmonic Approximation
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URI (для ссылок/цитирований):
https://link.springer.com/article/10.1134/S106378341911026Xhttps://elib.sfu-kras.ru/handle/2311/142986
Дата:
2019-11Журнал:
Physics of the Solid StateКвартиль журнала в Scopus:
Q3Квартиль журнала в Web of Science:
Q4Библиографическое описание:
Pavlovskii, M. S. Calculating the Lattice Dynamics in the RFe3(BO3)4 Crystals in the Quasi-Harmonic Approximation [Текст] / M. S. Pavlovskii, N. D. Andryushin // Physics of the Solid State. — 2019. — Т. 61 (№ 11). — С. 2019-2025Текст статьи не публикуется в открытом доступе в соответствии с политикой журнала.
Аннотация:
The frequencies of lattice vibrations in the RFe3(BO3)4 (R = Pr, Nd, Tb, Dy, or Ho) crystals in the high-temperature R32 phase and their temperature dependence have been calculated using the quasi-harmonic approximation. It has been found that, at the boundary point Λ of the Brillouin zone, the frequency of the unstable vibration mode the structural phase transition R32 → P3121 is related to strong changes with temperature in the TbFe3(BO3)4, DyFe3(BO3)4, and HoFe3(BO3)4 crystals. With increasing temperature, the frequency of the soft mode stabilizes and takes a real value. No significant changes in the phonon spectra, including the boundary point Λ, with increasing temperature for the PrFe3(BO3)4 and NdFe3(BO3)4 crystals have been observed.