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Title: Thermal conductivity and phonon linewidths of monolayer MoS{sub 2} from first principles

Using ab initio calculations, we have investigated the phonon linewidths and the thermal conductivity (κ) of monolayer MoS{sub 2}. 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 MoS{sub 2}. 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 A{sub 1g} and E{sub 2g}{sup 1}, in isotopically pure samples.
Authors:
; ;  [1]
  1. CEA-Grenoble, 17 Rue des Martyrs, Grenoble 38000 (France)
Publication Date:
OSTI Identifier:
22253756
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 103; Journal Issue: 25; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ISOTOPES; LINE WIDTHS; MOLYBDENUM SULFIDES; PHONONS; TEMPERATURE RANGE 0273-0400 K; THERMAL CONDUCTIVITY