Тип публикации: статья из журнала

Год издания: 2025

Идентификатор DOI: 10.1016/j.solidstatesciences.2025.108042

Ключевые слова: phase transition, fluorides, heat capacity, entropy, thermal expansion, crystal structure, lattice dynamics

Аннотация: A mixed-cation fluoride RbCdHfF7 was synthesized. The room temperature structure was determined as orthorhombic (Cmcm, Z = 4). Comprehensive studies of thermal properties and permittivity revealed a phase transition of a non-ferroelectric nature at T0 = 207 K. Calculations using the density functional theory, as well as the behavioПоказать полностьюr of the order parameter Ω(T), indicate a doubling of the unit cell volume in the low-temperature phase, which is associated with an unstable mode at the S boundary point of the Brillouin zone. The monoclinic symmetry (P21/c, Z = 4) was chosen for phase below T0. Very high sensitivity to hydrostatic pressure and low entropy of structural transformation were found and discussed.

Журнал: Solid State Sciences

Выпуск журнала: Т. 168

Номера страниц: 108042

ISSN журнала: 12932558

Издатель: Elsevier Science Publishing Company, Inc.

• Bogdanov Evgeniy V. (Siberian Federal University)
• Molokeev Maxim S. (Siberian Federal University)
• Gorev Mikhail V. (Siberian Federal University)
• Kartashev Andrey V. (Kirensky Institute of Physics, Federal Research Center KSC SB RAS)
• Pavlovskiy Maxim S. (Siberian Federal University)
• Pogoreltsev E.I. (Professor V.F. Voino-Yasenetsky Krasnoyarsk State Medical University)
• Laptash Natalia M. (Institute of Chemistry, Far Eastern Department of RAS)
• Flerov Igor N. (Kirensky Institute of Physics, Federal Research Center KSC SB RAS)

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