Exploring the electronic structure and optical properties of new quaternary Selenide compound, Ba4Ga4SnSe12: for photovoltaic applications

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23210%2F15%3A43925795" target="_blank" >RIV/49777513:23210/15:43925795 - isvavai.cz</a>
Alternative codes found
RIV/49777513:23640/15:43925795
Result on the web
<a href="http://dx.doi.org/10.1016/j.jssc.2015.06.015" target="_blank" >http://dx.doi.org/10.1016/j.jssc.2015.06.015</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.jssc.2015.06.015" target="_blank" >10.1016/j.jssc.2015.06.015</a>

Result language
angličtina
Original language name
Exploring the electronic structure and optical properties of new quaternary Selenide compound, Ba4Ga4SnSe12: for photovoltaic applications
Original language description
Due to huge demand on discovering new materials for energy, we used first-principle calculations to explore the electronic structure and optical properties of new 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 2.14 eV positioned at Gamma. Acquiring the fundamental characteristics of Ba4Ga4SnSe12, we studied the linearoptical properties like dielectric function in the energy range of 0-14 eV. From the dielectric function we notice that there is a weak directional anisotropy for the two components. The absorption spectrum indicates that there is possibility of greatermultiple 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 Ba4Ga4SnS
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BE - Theoretical physics
OECD FORD branch
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Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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