Four-phonon and electron–phonon scattering effects on thermal properties in two-dimensional 2H-TaS<sub>2</sub>-Reference-Cited by-同舟云学术

Four-phonon and electron–phonon scattering effects on thermal properties in two-dimensional 2H-TaS₂

Published:2022 Issue:36 Volume:14 Page:13053-13058
ISSN:2040-3364
Container-title:Nanoscale
language:en
Short-container-title:Nanoscale

Author:

Zhang Yatian¹,Tong Zhen²³^ORCID,Pecchia Alessandro⁴^ORCID,Yam ChiYung²^ORCID,Dumitrică Traian⁵^ORCID,Frauenheim Thomas¹²³

Affiliation:

1. Bremen Center for Computational Materials Science, University of Bremen, Bremen 28359, Germany

2. Shenzhen JL Computational Science and Applied Research Institute, Shenzhen 518131, China

3. Beijing Computational Science Research Center, Beijing 100193, China

4. CNR-ISMN, Via Salaria Km 29.300, Monterotondo, Rome 00017, Italy

5. Department of Mechanical Engineering, University of Minnesota, Minnesota 55455, USA

Abstract

Thermal properties of 2H-TaS2 are investigated using first-principles calculations and the Boltzmann transport equation. Electronic thermal conductivity and four-phonon scattering, which were typically overlooked, are found to be non-negligible.

Funder

China Scholarship Council

National Natural Science Foundation of China

China Postdoctoral Science Foundation

Basic and Applied Basic Research Foundation of Guangdong Province

Shenzhen Science and Technology Innovation Program

Deutsche Forschungsgemeinschaft

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science

Link

http://pubs.rsc.org/en/content/articlepdf/2022/NR/D2NR02766F

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