Work

First-Principles Study on the Thermoelectric Properties of FeAsS

Year: 2018

Type: article

Abstract: The electronic structure and thermoelectric properties of FeAsS are studied by the first-principles and the Boltzmann transport theory. The results show that FeAsS is a semiconductor with an indirect band gap of 0.73 eV. The dimensionless figure of merit (ZT) has obvious anisotropy, ZT value along the x- and y-directions is significantly larger than that along the z-direction, and p-type doping has better thermoelectric performance than n-type doping. The largest ZT value can reach 0.84, which is for p-type doping along the x-direction. The lattice thermal conductivity is extremely low, which is smaller than 1 W m–1 K–1. The results show that FeAsS is a promising candidate for thermoelectric applications.

Source: ACS Omega

DOI: 10.1021/acsomega.8b02042

Authors: Lin Zhu, Xia Jiang, Guoying Gao, Huahua Fu, Kailun Yao

Institution: Huazhong University of Science and Technology

Language: English

Topic: Advanced Thermoelectric Materials and Devices

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $1,935

Funder: National Natural Science Foundation of China