文章基本信息

标题：First-Principles Determination of Ultralow Thermal Conductivity of monolayer WSe₂
本地全文：下载
作者：Wu-Xing Zhou ; Ke-Qiu Chen
期刊名称：Scientific Reports
电子版ISSN：2045-2322
出版年度：2015
卷号：5
DOI：10.1038/srep15070
出版社：Springer Nature
摘要：By using first-principles calculations combined with the phonon Boltzmann transport equation, we systematically investigate the phonon transport of monolayer WSe2. Compared with other 2D materials, the monolayer WSe2 is found to have an ultralow thermal conductivity due to the ultralow Debye frequency and heavy atom mass. The room temperature thermal conductivity for a typical sample size of 1 μm is 3.935 W/m K, which is one order of magnitude lower than that of MoS₂. And the room temperature thermal conductivity can be further decreased by about 95% in 10 nm sized samples. Moreover, we also find the ZA phonons have the dominant contribution to the thermal conductivity, and the relative contribution is almost 80% at room temperature, which is remarkably higher than that for monolayer MoS₂. This is because the ZA phonons have longer lifetime than that of LA and TA phonons in monolayer WSe₂.