Large contributions from optical phonons to thermal transport in hexagonal carbon-boron-nitrogen monolayers

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成果类型：

期刊论文

作者：

Chen, Xue-Kun;Zhang, Yue;Luo, Qing-Qing;Chen, Xue;Jia, Pin-Zhen;...

通讯作者：

Jia, PZ;Zhou, WX

作者机构：

[Luo, Qing-Qing; Zhang, Yue; Chen, Xue-Kun; Chen, Xue] Univ South China, Sch Math & Phys, Hengyang 421001, Peoples R China.

[Luo, Qing-Qing; Zhang, Yue; Chen, Xue-Kun; Chen, Xue] Univ South China, Hunan Key Lab Math Modeling & Sci Comp, Hengyang 421001, Peoples R China.

[Jia, Pin-Zhen; Jia, PZ] Hunan Inst Technol, Dept Math & Phys, 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, Dept Math & Phys, 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

期刊：

PHYSICAL REVIEW B

ISSN：

2469-9950

年：

2023

卷：

108

期：

页码：

235420

DOI：

10.1103/PhysRevB.108.235420

基金类别：

National Natural Science Foundation of China [12074115, 11904161]; Scientific Research Fund of Hunan Provincial Education Department [21B0401, 22B0868]; National College Students Innovation and Entrepreneurship Training Program [S202310555083]; HPC Center of University of South China

机构署名：

本校为第一机构

院系归属：

数理学院

摘要：

As representative semiconducting hexagonal carbon-boron-nitride lattices, C6BN and C2BN are experimentally realized two-dimensional (2D) plane materials and have recently become the focus of research. Herein, combining first-principles calculations with the Boltzmann transport equation, we performed a comprehensive study on the phonon interaction and thermal conductivity in C6BN and C2BN monolayers. It is found that the thermal conductivities of C6BN and C2BN monolayers at room temperature are reduced by 79% and 73%, respectively, due to four-phonon scattering, compared with the results includ...

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Large contributions from optical phonons to thermal transport in hexagonal carbon-boron-nitrogen monolayers

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