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Updated: Jan 20, 2026

Synthesis of Non-uniformly Pr-doped SrTiO3 Ceramics and Their Thermoelectric Properties
Published on: August 15, 2015
First-Principles Study on the Thermoelectric Properties of FeAsS
Lin Zhu1, Xia Jiang1, Guoying Gao1
1School of Physics and Wuhan National High Magnetic Field Center, Huazhong University of Science and Technology, Wuhan 430074, China.
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.
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