Anisotropic thermal transport in Weyl semimetal TaAs: a first principles calculation.
A fundamental understanding of the phonon transport property is crucial to predict the thermal management performance in micro/nano-electronic devices. By combining first principle calculations and Boltzmann phonon transport equation, we investigate thermal transport in TaAs-a typical Weyl semimetal. The lattice thermal conductivity of TaAs at room temperature was found to be 39.26 W mK(-1) and 24.78 W mK(-1) along the a(b) and c crystal axis, respectively, showing obvious anisotropy. Detailed analyses of the mode level phonon properties further revealed that the three acoustic phonon modes dominate the overall thermal transport and the major phonon scattering channels in this typical Weyl semimetal were TA1/TA2/LA + O ↔ O and A + A ↔ O. The representative phonon mean free path of TaAs was also calculated in this paper, which provide helpful guidance for the thermal management of TaAs-based electronic devices.
Hunan Key Laboratory for Micro-Nano Energy Materials and Device and Department of Physics, Xiangtan University, Xiangtan 411105, Hunan, China. ouyangtao@xtu.edu.cn.
Tao
T
Ouyang
Hunan Key Laboratory for Micro-Nano Energy Materials and Device and Department of Physics, Xiangtan University, Xiangtan 411105, Hunan, China. ouyangtao@xtu.edu.cn.
Huaping
H
Xiao
Hunan Key Laboratory for Micro-Nano Energy Materials and Device and Department of Physics, Xiangtan University, Xiangtan 411105, Hunan, China. ouyangtao@xtu.edu.cn.
Chao
C
Tang
Institute of Mineral Engineering, Division of Materials Science and Engineering, Faculty of Georesources and Materials Engineering, RWTH Aachen University, 52064 Aachen, Germany. hum@ghi.rwth-aachen.de and Aachen Institute for Advanced Study in Computational Engineering Science (AICES), RWTH Aachen University, 52062 Aachen, Germany.
Ming
M
Hu
Hunan Key Laboratory for Micro-Nano Energy Materials and Device and Department of Physics, Xiangtan University, Xiangtan 411105, Hunan, China. ouyangtao@xtu.edu.cn.
Jianxin
J
Zhong