Thermal conductivity and phonon linewidths of monolayer MoS2 from first principles

被引：296

作者：

Li, Wu ^{[1
]}

Carrete, J. ^{[1
]}

Mingo, Natalio ^{[1
]}

机构：

[1] CEA Grenoble, F-38000 Grenoble, France

来源：

APPLIED PHYSICS LETTERS | 2013年 / 103卷 / 25期

关键词：

RAMAN; SPECTRA;

D O I：

10.1063/1.4850995

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Using ab initio calculations, we have investigated the phonon linewidths and the thermal conductivity (kappa) of monolayer MoS2. kappa for a typical sample size of 1 mu m is 83 W/m K at room temperature in the completely rough edge limit, suggesting kappa is not a limiting factor for the electronic application of monolayer MoS2. kappa can be further increased by 30% in 10 mu m sized samples. Due to strong anharmonicity, isotope enhancement of room temperature kappa is only 10% for 1 mu m sized samples. However, linewidths can be significantly reduced, for instance, for Raman active modes A(1g) and E-2g(1), in isotopically pure samples. (C) 2013 AIP Publishing LLC.

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页数：4

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