Tuning the lattice thermal conductivity of Sb<sub>2</sub>Te<sub>3</sub> by Cr doping: a deep potential molecular dynamics study-Reference-Cited by-同舟云学术

Tuning the lattice thermal conductivity of Sb₂Te₃ by Cr doping: a deep potential molecular dynamics study

Published:2023 Issue:22 Volume:25 Page:15422-15432
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Zhang Pan¹,Liao Wenkai¹,Zhu Ziyang¹,Qin Mi²,Zhang Zhenhua³^ORCID,Jin Dan¹,Liu Yong¹^ORCID,Wang Ziyu¹⁴^ORCID,Lu Zhihong³^ORCID,Xiong Rui¹^ORCID

Affiliation:

1. Key Laboratory of Artificial Micro- and Nano-structures of Ministry of Education, School of Physics and Technology, Wuhan University, Wuhan 430072, People's Republic of China

2. Key Laboratory of Materials Physics, Institute of Solid State Physics, HFIPS, Chinese Academy of Sciences, Hefei 230031, People's Republic of China

3. School of Materials and Metallurgy, Wuhan University of Science and Technology, Wuhan 430081, People's Republic of China

4. Suzhou Institute of Wuhan University, Suzhou 215123, People's Republic of China

Abstract

The lattice thermal conductivities of orderly and randomly Cr-doped Sb2Te3 are investigated using molecular dynamics simulations combined with a deep neural network potential.

Funder

National Natural Science Foundation of China

Suzhou Key Industrial Technology Innovation Project

Wuhan University of Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP00999H

Reference61 articles.

1. Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals