Anisotropic phonon thermal transport in two-dimensional layered materials

doi:10.1007/s11467-023-1276-4

Frontiers of Physics

2023, Vol. 18

Issue (4): 43303 https://doi.org/10.1007/s11467-023-1276-4

本期目录

Anisotropic phonon thermal transport in two-dimensional layered materials

Yuxin Cai¹, Muhammad Faizan¹, Huimin Mu², Yilin Zhang¹, Hongshuai Zou¹, Hong Jian Zhao², Yuhao Fu²(

), Lijun Zhang¹(

)

¹. State Key Laboratory of Integrated Optoelectronics, Key Laboratory of Automobile Materials of MOE, International Center of Computational Method and Software, School of Materials Science and Engineering, Jilin University, Changchun 130012, China
². State Key Laboratory of Superhard Materials, International Center of Computational Method and Software, College of Physics, Jilin University, Changchun 130012, China

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Abstract：

Two-dimensional layered materials (2DLMs) have attracted growing attention in optoelectronic devices due to their intriguing anisotropic physical properties. Different members of 2DLMs exhibit unique anisotropic electrical, optical, and thermal properties, fundamentally related to their crystal structure. Among them, directional heat transfer plays a vital role in the thermal management of electronic devices. Here, we use density functional theory calculations to investigate the thermal transport properties of representative layered materials: β-InSe, γ-InSe, MoS₂, and h-BN. We found that the lattice thermal conductivities of β-InSe, γ-InSe, MoS₂, and h-BN display diverse anisotropic behaviors with anisotropy ratios of 10.4, 9.4, 64.9, and 107.7, respectively. The analysis of the phonon modes further indicates that the phonon group velocity is responsible for the anisotropy of thermal transport. Furthermore, the low lattice thermal conductivity of the layered InSe mainly comes from low phonon group velocity and atomic masses. Our findings provide a fundamental physical understanding of the anisotropic thermal transport in layered materials. We hope this study could inspire the advancement of 2DLMs thermal management applications in next-generation integrated electronic and optoelectronic devices.

Key words： thermal conductivity two-dimensional layered materials first-principles calculation Boltzmann transport theory

收稿日期: 2023-01-24 出版日期: 2023-04-10

Corresponding Author(s): Yuhao Fu,Lijun Zhang

引用本文:

. [J]. Frontiers of Physics, 2023, 18(4): 43303.
Yuxin Cai, Muhammad Faizan, Huimin Mu, Yilin Zhang, Hongshuai Zou, Hong Jian Zhao, Yuhao Fu, Lijun Zhang. Anisotropic phonon thermal transport in two-dimensional layered materials. Front. Phys. , 2023, 18(4): 43303.

链接本文:

https://academic.hep.com.cn/fop/CN/10.1007/s11467-023-1276-4
https://academic.hep.com.cn/fop/CN/Y2023/V18/I4/43303

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