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题名

Role of high-order anharmonicity and off-diagonal terms in thermal conductivity: A case study of multiphase CsPbBr3

作者
通讯作者Gao,Zhibin; Zhu,Guimei; Xia,Yi
发表日期
2023-06-01
DOI
发表期刊
ISSN
2469-9950
EISSN
2469-9969
卷号107期号:21
摘要

We investigate the influence of three- and four-phonon scattering, perturbative anharmonic phonon renormalization, and off-diagonal terms of coherent phonons on the thermal conductivity of CsPbBr3 phase change perovskite, by using advanced implementations and first-principles simulations. Our study spans a wide temperature range covering the entire structural spectrum. Notably, we demonstrate that the interactions between acoustic and optical phonons result in contrasting trends of phonon frequency shifts for the high-lying optical phonons in orthorhombic and cubic CsPbBr3 as temperature varies. Our findings highlight the significance of wavelike tunneling of coherent phonons in ultralow and glasslike thermal conductivity in halide perovskites.

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英语
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其他
EI入藏号
20232714332496
EI主题词
Cesium Compounds ; Coherent Scattering ; Lead Compounds ; Perovskite ; Phonons ; Thermal Conductivity
EI分类号
Minerals:482.2 ; Thermodynamics:641.1 ; Electromagnetic Waves:711
ESI学科分类
PHYSICS
Scopus记录号
2-s2.0-85163426347
来源库
Scopus
引用统计
被引频次[WOS]:0
成果类型期刊论文
条目标识符http://sustech.caswiz.com/handle/2SGJ60CL/559960
专题工学院_深港微电子学院
工学院_材料科学与工程系
作者单位
1.State Key Laboratory for Mechanical Behavior of Materials,Xi'An Jiaotong University,Xi'an,710049,China
2.School of Microelectronics,Southern University of Science and Technology,Shenzhen,518055,China
3.Center for Phononics and Thermal Energy Science,China-EU Joint Center for Nanophononics,Key Laboratory of Special Artificial Microstructure Materials and Technology,School of Physics Sciences and Engineering,Tongji University,Shanghai,200092,China
4.Department of Mechanical and Materials Engineering,Portland State University,Portland,97201,United States
5.Department of Materials Science and Engineering,Southern University of Science and Technology,Shenzhen,518055,China
6.Paul M. Rady Department of Mechanical Engineering,Department of Physics,University of Colorado,Boulder,80305-0427,United States
通讯作者单位深港微电子学院
推荐引用方式
GB/T 7714
Wang,Xiaoying,Gao,Zhibin,Zhu,Guimei,et al. Role of high-order anharmonicity and off-diagonal terms in thermal conductivity: A case study of multiphase CsPbBr3[J]. Physical Review B,2023,107(21).
APA
Wang,Xiaoying.,Gao,Zhibin.,Zhu,Guimei.,Ren,Jie.,Hu,Lei.,...&Li,Baowen.(2023).Role of high-order anharmonicity and off-diagonal terms in thermal conductivity: A case study of multiphase CsPbBr3.Physical Review B,107(21).
MLA
Wang,Xiaoying,et al."Role of high-order anharmonicity and off-diagonal terms in thermal conductivity: A case study of multiphase CsPbBr3".Physical Review B 107.21(2023).
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