Abstract:
The frequencies of lattice vibrations in the RRFe33(BO3)43)4 (RR = Pr, Nd, Tb, Dy, or Ho) crystals in the high-temperature RR32 phase and their temperature dependence have been calculated using the quasi-harmonic approximation. It has been found that, at the boundary point ΛΛ of the Brillouin zone, the frequency of the unstable vibration mode the structural phase transition R32→P3121R32→P3121 is related to strong changes with temperature in the TbFe33(BO3)43)4, DyFe33(BO3)43)4, and HoFe33(BO3)43)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 ΛΛ, with increasing temperature for the PrFe33(BO3)43)4 and NdFe33(BO3)43)4 crystals have been observed.
Citation:
M. S. Pavlovskii, N. D. Andryushin, “Calculating the lattice dynamics in the RRFe33(BO3)43)4 crystals in the quasi-harmonic approximation”, Fizika Tverdogo Tela, 61:11 (2019), 2049–2055; Phys. Solid State, 61:11 (2019), 2019–2025
\Bibitem{PavAnd19}
\by M.~S.~Pavlovskii, N.~D.~Andryushin
\paper Calculating the lattice dynamics in the $R$Fe$_{3}$(BO$_{3})_{4}$ crystals in the quasi-harmonic approximation
\jour Fizika Tverdogo Tela
\yr 2019
\vol 61
\issue 11
\pages 2049--2055
\mathnet{http://mi.mathnet.ru/ftt8615}
\crossref{https://doi.org/10.21883/FTT.2019.11.48407.486}
\elib{https://elibrary.ru/item.asp?id=41300771}
\transl
\jour Phys. Solid State
\yr 2019
\vol 61
\issue 11
\pages 2019--2025
\crossref{https://doi.org/10.1134/S106378341911026X}
Linking options:
https://www.mathnet.ru/eng/ftt8615
https://www.mathnet.ru/eng/ftt/v61/i11/p2049
This publication is cited in the following 3 articles:
Sara Sheikhi, Wylie Stroberg, James D. Hogan, “Temperature-Dependent Elastic Properties of B4C from First-Principles Calculations and Phonon Modeling”, Ceramics, 7:1 (2024), 235
Alexander Krylov, Maksim Pavlovskiy, Yuri Kitaev, Irina Gudim, Nikita Andryshin, Aleksander Vtyurin, Qinghui Jiang, Svetlana Krylova, “Phase transitions and p–T phase diagram of the multiferroic TbFe3(BO3)4 crystal”, J Raman Spectroscopy, 53:6 (2022), 1179
M. S. Molokeev, S. O. Kuznetsov, “Tolerance factor for huntite-family compounds”, Phys. Solid State, 62:12 (2020), 2058–2062