Unravelling ultralow thermal conductivity in perovskite Cs2AgBiBr6: dominant wave-like phonon tunnelling and strong anharmonicity

Abstract Understanding the lattice dynamics and heat transport physics in the lead-free halide double perovskites remains an outstanding challenge due to their lattice dynamical instability and strong anharmonicity. In this work, we investigate the microscopic mechanisms of anharmonic lattice dynami...

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Bibliographic Details
Main Authors: Jiongzhi Zheng, Changpeng Lin, Chongjia Lin, Geoffroy Hautier, Ruiqiang Guo, Baoling Huang
Format: Article
Language:English
Published: Nature Portfolio 2024-02-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-024-01211-y