非谐性
声子
热导率
凝聚态物理
空位缺陷
材料科学
Atom(片上系统)
热的
格子(音乐)
物理
热力学
计算机科学
声学
复合材料
嵌入式系统
作者
Un-Gi Jong,Yun-Sim Kim,Chol-Hyok Ri,Yun-Hyok Kye,Chol-Jin Pak,Stefaan Cottenier,Chol‐Jun Yu
摘要
We report a first-principles study of lattice vibrations and thermal transport in Cs2SnI6, the vacancy-ordered double perovskite. Twofold rattlers of Cs atoms and SnI6 clusters in Cs2SnI6, being different from CsSnI3 with only Cs atom rattlers, largely scatter heat-carrying acoustic phonons strongly coupled with low-lying optical phonons and lower phonon group velocity. Using renormalized phonon dispersions at finite temperatures, we reveal that anharmonicity and twofold rattling modes induce an ultralow thermal conductivity at room temperature.
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