期刊
JOURNAL OF APPLIED PHYSICS
卷 119, 期 8, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.4942827
关键词
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资金
- National Science Foundation [1511195, CNS-0821794]
- DOD DARPA [FA8650-15-1-7524]
- University of Colorado at Boulder
- University of Colorado at Denver
- National Center for Atmospheric Research
- Div Of Chem, Bioeng, Env, & Transp Sys
- Directorate For Engineering [1512776] Funding Source: National Science Foundation
For conventional materials, the thermal conductivity of thin films is usually suppressed when the thickness decreases due to phonon-boundary scattering. However, this is not necessarily true for the van der Waals solids if the thickness is reduced to only a few layers. In this letter, the layer thickness-dependent phonon properties and thermal conductivity in the few-layer MoS2 are studied using the first-principles-based Peierls-Boltzmann transport equation approach. The basal-plane thermal conductivity of 10-mu m-long samples is found to monotonically reduce from 138W/mK to 98 W/mK for naturally occurring MoS2, and from 155 W/mK to 115 W/mK for isotopically pure MoS2, when its thickness increases from one layer to three layers. The thermal conductivity of tri-layer MoS2 approaches to that of bulk MoS2. Both the change of phonon dispersion and the thickness-induced anharmonicity are important for explaining such a thermal conductivity reduction. The increased anharmonicity in bi-layer MoS2 results in stronger phonon scattering for ZA(i) modes, which is linked to the breakdown of the symmetry in single-layer MoS2. (C) 2016 AIP Publishing LLC.
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