Rattling Phonon Modes in Quadruple Perovskites

被引：4
|
作者：
Pchelkina, Z. V. [1 ,2 ]
Komleva, E. V. [1 ,2 ]
Irkhin, V. Yu. [1 ]
Long, Y. [3 ,4 ]
Streltsov, S. V. [1 ,2 ]
机构：
[1] Inst Met Phys, Ekaterinburg 620108, Russia
[2] Ural Fed Univ, Dept Theoret Phys & Appl Math, Ekaterinburg 620002, Russia
[3] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China
[4] Songshan Lake Mat Lab, Dongguan 523808, Guangdong, Peoples R China
来源：
JETP LETTERS | 2023年 / 118卷 / 10期
基金：
中国国家自然科学基金; 俄罗斯科学基金会;
关键词：
THERMAL-CONDUCTIVITY; ANHARMONICITY; LATTICE; STATE;
D O I：
10.1134/S0021364023603202
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Rattling phonon modes are known to be the origin of various anomalous physical properties such as superconductivity, suppression of thermal conductivity, enhancement of specific heat etc. By means of DFT + U calculations we directly show the presence of the rattling mode in the quadruple perovskites CuCu3V4O12 and CuCu3Fe2Re2O12 and argue that this might appear in others as well. It is demonstrated that Cu ions at A sites vibrate in the center of the icosahedral oxygen O12 cages and the corresponding potential has a complicated form with many local minima.
引用
收藏
页码：738 / 741
页数：4
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