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• W3126149186 endingPage "105736" @default.
• W3126149186 startingPage "105736" @default.
• W3126149186 abstract "Direct bandgap bulk materials are very important for the optical applications. It is therefore important to predict new materials with the desired properties. In the present work, density functional theory is applied to study different physical properties of MgA2B4 (A = Sc, Y; B= S, Se) spinel compounds. Generalized gradient approximation is used to study the structural and elastic parameters while modified Becke Johnson exchange potential is applied to calculate electronic band profiles and optical properties. The studied compounds are stable in cubic structure. Also, energy bandgaps of the compounds are of direct nature. Therefore, these compounds can find useful applications in the optoelectronics devices. Optical properties of these compounds are studied in terms of dielectric function, refractive index, extinction coefficient, optical conductivity and reflectivity. The transport parameters like electrical conductivity and thermal conductivity are also evaluated." @default.
• W3126149186 created "2021-02-15" @default.
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• W3126149186 date "2021-06-01" @default.
• W3126149186 modified "2023-09-24" @default.
• W3126149186 title "Insights into the structural, electronic and optical properties of MgA2B4(A = Sc, Y; B = S, Se) spinel compounds: Direct energy band gap materials" @default.
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• W3126149186 doi "https://doi.org/10.1016/j.mssp.2021.105736" @default.
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