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Thermal conductivity and phonon linewidths of monolayer MoS2 from first principles

Li, Wu, Carrete, J., Mingo, Natalio·2013·Applied Physics Letters

Abstract

Using ab initio calculations, we have investigated the phonon linewidths and the thermal conductivity (κ) of monolayer MoS2. κ for a typical sample size of 1 μm is 83 W/m K at room temperature in the completely rough edge limit, suggesting κ is not a limiting factor for the electronic application of monolayer MoS2. κ can be further increased by 30% in 10 μm sized samples. Due to strong anharmonicity, isotope enhancement of room temperature κ is only 10% for 1 μm sized samples. However, linewidths can be significantly reduced, for instance, for Raman active modes A1g and E2g1, in isotopically pure samples.

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Metadata

Authors
Li, W., Carrete, J., & Mingo, N.
Venue
Applied Physics Letters
Published
2013-12-16
Volume
103
Issue
25
ISSN
  • 0003-6951 (ISSN-L)
  • 1077-3118
OpenAlex
W1989372505
Cited by
317
References
4
FWCI
14.36
Type
journal article
Language
en
Open access
closed

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CoChat. (2026). Citation check: Thermal conductivity and phonon linewidths of monolayer MoS2 from first principles. https://app.cochat.ai/papers/10.1063/1.4850995
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Li, W., Carrete, J., & Mingo, N. (2013). Thermal conductivity and phonon linewidths of monolayer MoS2 from first principles. Applied Physics Letters. https://doi.org/10.1063/1.4850995

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