Abstract
Due to huge demand on discovering new materials for energy, we used first-principle calculations to explore the electronic structure and optical properties of a recent quaternary selenide, namely Ba4Ga4SnSe12. The electronic structure and the optical properties of Ba4Ga4SnSe12 were calculated through a reliable approach of Engle Vosko-GGA (EV-GGA). We found that Ba4Ga4SnSe12 has a direct band gap of 2.14eV positioned at Γ. Acquiring the fundamental characteristics of Ba4Ga4SnSe12, we studied the linear optical properties like dielectric function in the energy range of 0–14eV. From the dielectric function we noticed a weak directional anisotropy for the two components. The absorption spectrum indicates the possibility of greater multiple direct and indirect inter-band transitions in the visible regions and shows similar behavior with experimental spectrum. Ba4Ga4SnSe12 can be used as shielding material from UV radiations. Present study predicts that the Ba4Ga4SnSe12 is promising for photovoltaic applications due to their high absorption of solar radiations and photoconductivity in the visible range.
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 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.
