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Strain-driven anisotropic enhancement in the thermal conductivity of KCaBi: the role of optical phonons

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成果类型:
期刊论文
作者:
Chen, Xue-Kun;Zhang, Yue;Luo, Qing-Qing;Jia, Pin-Zhen;Zhou, Wu-Xing
通讯作者:
Jia, PZ;Zhou, WX
作者机构:
[Luo, Qing-Qing; Zhang, Yue; Chen, Xue-Kun] Univ South China, Sch Math & Phys, Hengyang 421001, Peoples R China.
[Jia, Pin-Zhen; Jia, PZ] Hunan Inst Technol, Sch Sci, Hengyang 421002, Peoples R China.
[Zhou, Wu-Xing; Zhou, WX] Hunan Univ Sci & Technol, Sch Mat Sci & Engn, Xiangtan 411201, Peoples R China.
[Zhou, Wu-Xing; Zhou, WX] Hunan Univ Sci & Technol, Hunan Prov Key Lab Adv Mat New Energy Storage & Co, Xiangtan 411201, Peoples R China.
通讯机构:
[Jia, PZ ; Zhou, WX ] H
Hunan Inst Technol, Sch Sci, Hengyang 421002, Peoples R China.
Hunan Univ Sci & Technol, Sch Mat Sci & Engn, Xiangtan 411201, Peoples R China.
Hunan Univ Sci & Technol, Hunan Prov Key Lab Adv Mat New Energy Storage & Co, Xiangtan 411201, Peoples R China.
语种:
英文
关键词:
anisotropic thermal conductivity;optical phonons;four-phonon scattering;strain engineering;machine learning potential
期刊:
International Journal of Heat and Mass Transfer
ISSN:
0017-9310
年:
2025
卷:
236
页码:
126364
基金类别:
CRediT authorship contribution statement Xue-Kun Chen: Writing – original draft, Methodology, Investigation, acquisition, Conceptualization. Yue Zhang: Validation, Software, Investigation, Formal analysis. Qing-Qing Luo: Validation, Methodology, Investigation. Pin-Zhen Jia: Supervision, Project administration, acquisition. Wu-Xing Zhou: Writing – original draft, Visualization, Methodology, acquisition, Conceptualization.
机构署名:
本校为第一机构
院系归属:
数理学院
摘要:
Acoustic phonons have long been believed to dominate the lattice thermal conductivity ( κ l ) and the contribution of optical phonons can be neglected in crystal structures. KCaBi, as a high-throughput screening semiconductor with ultralow κ l [J. Am. Chem. Soc. 144, 4448 (2022)], has been demonstrated that the contribution of optical phonons plays an important role in thermal transport. In this work, by solving the Boltzmann transport equation, it is found that the κ l of KCaBi is 2.2 at 300K, with acoustic phonons dominating the z-directio...

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