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Analytical insight into the lattice thermal conductivity and heat capacity of monolayer MoS2

Saha, Dipankar and Mahapatra, Santanu (2016) Analytical insight into the lattice thermal conductivity and heat capacity of monolayer MoS2. In: PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 83 . pp. 455-460.

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Official URL: http://dx.doi.org/10.1016/j.physe.2016.01.013


We report, a detailed theoretical study on the lattice thermal conductivity of a suspended monolayer MoS2, far beyond its ballistic limit. The analytical approach adopted in this work mainly relies on the use of Boltzmann transport equation (BTE) within the relaxation time approximation (RTA), along with the first-principles calculations. Considering the relative contributions from the various in-plane and out-of plane acoustic modes, we derive the closed-form expressions of the mode specific heat capacities, which we later use to obtain the phonon thermal conductivities of the monolayer MoS2. Besides finding the intrinsic thermal conductivity, we also analyse the effect of the phonon-boundary scattering, for different dimensions and edge roughness conditions. The viability of the semi-analytic solution of lattice thermal conductivity reported in this work ranges from a low temperature (T-30 K) to a significantly high temperature (T-550 K), and the room temperature (RT) thermal conductivity value has been obtained as 34.06 W m(-1) K-1 which is in good agreement with the experimental result. (C) 2016 Elsevier B.V. All rights reserved.

Item Type: Journal Article
Additional Information: Copy right for this article belongs to the ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
Department/Centre: Division of Electrical Sciences > Electronic Systems Engineering (Formerly Centre for Electronic Design & Technology)
Date Deposited: 22 Oct 2016 09:07
Last Modified: 22 Oct 2016 09:07
URI: http://eprints.iisc.ac.in/id/eprint/54978

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