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.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
