Сибирский федеральный университет

Тип публикации: статья из журнала

Год издания: 2019

Идентификатор DOI: 10.1134/S106378341911026X

Ключевые слова: lattice dynamics, structural instability, ab initio calculations, phase transitions

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 Lambda of the Brillouin zone, the frequency of the unstable vibration mode the structural phase transition R32 -> P3(1)21 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 Lambda, with increasing temperature for the PrFe3(BO3)(4) and NdFe3(BO3)(4) crystals have been observed.

Журнал: PHYSICS OF THE SOLID STATE

Выпуск журнала: Vol. 61, Is. 11

Номера страниц: 2019-2025

ISSN журнала: 10637834

Место издания: MOSCOW

Издатель: PLEIADES PUBLISHING INC

• Pavlovskii M.S. (Russian Acad Sci, Krasnoyarsk Sci Ctr, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia; Siberian Fed Univ, Krasnoyarsk 660041, RussiaArticle)
• Andryushin N.D. (Russian Acad Sci, Krasnoyarsk Sci Ctr, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia; Siberian Fed Univ, Krasnoyarsk 660041, RussiaArticle)

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