Abstract
The effect of C dopant on the electronic structure and thermoelectric properties of SnSe has been studied using density functional theory (DFT) and by solving the Boltzmann transport equation (BTE). We found that the substitution of C into the Sn site creates a strongly localized defect state with a sharp density for the state peak. This strong modification of band structure reduces the band gap from 0.61 eV to 0.42 eV. It was found that the maximal Seebeck coefficient can be enhanced up to 17.1% and the maximal temperature reduces from 525 K to 280 K. These behaviors can be understood using the Mott equation and Goldsmid – Sharp relation.
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.
