Anomalous layer thickness dependent thermal conductivity of Td-WTe2 through first-principles calculation

被引：9

作者：

Wu, Chao ^{[1
]}

Liu, Chenhan ^{[2
]}

Tao, Yi ^{[1
]}

Zhang, Yan ^{[1
]}

Chen, Yunfei ^{[1
]}

机构：

[1] Southeast Univ, Sch Mech Engn, Jiangsu Key Lab Design & Manufacture Micronano Bi, Nanjing 211100, Peoples R China

[2] Nanjing Normal Univ, Sch Energy & Mech Engn, Engn Lab Energy Syst Proc Convers & Emiss Reduct, Nanjing 210042, Peoples R China

来源：

PHYSICS LETTERS A | 2020年 / 384卷 / 30期

关键词：

2D WTe2 materials; Thermal conductivity; First-principles calculation; TRANSPORT; HEAT; WTE2;

D O I：

10.1016/j.physleta.2020.126751

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The thickness dependent in-plane thermal conductivity of layered Tungsten ditelluride (WTe2) is investigated by first-principles calculation. With the layer number increasing from one to infinite, the thermal conductivity displays a decrease to increase trend. The underlying mechanism is attributed to the change of the phonon dispersion relations. As the layer number increases, optical phonon branches shift downward, which provide more channels for the Umklapp scattering, and result in the decrease of the thermal conductivity. Furthering increasing the layer number makes those low-frequency optical phonon branches having high group velocity and leads to the increase of the lattice thermal conductivity. (C) 2020 Elsevier B.V. All rights reserved.

引用

页数：7

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