Abstract
The generalised gradient approximation (GGA) and ultrasoft pseudopotential (US PP) methods to the function of Perdew-Burke-Ernzerhof (PBE) approach are utilised for density functional computation of CuInS2. It enables the prediction of thermoelectric characteristics, including Seebeck coefficient, thermal conductivity, electrical conductivity, magnetic susceptibility, specific heat, power factor and figure of merit by semi-classical Boltzmann approach. At 800 K, the highest magnitude of Seebeck coefficient is estimated as 6.91× 10-5 V·K-1. The maximum figure of merit (zT) is predicted as 1.04 × 10-4 at 800 K. Findings from this study suggest that CuInS2 has prospective to be used in the thermoelectric power generating sector.
Sign-in/Register to access full text options 
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 callMore From: IOP Conference Series: Materials Science and Engineering
Disclaimer: 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.
