LAUSR

Structural, mechanical and optoelectronic features of cubic Mg Cd1−S, Mg Cd1−Se and Mg Cd1−Te semiconductor ternary alloys: Theoretical investigations using density functional FP-LAPW approach

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1 Published in 2020 at "Computational Condensed Matter"

DOI: 10.1016/j.cocom.2019.e00448

Abstract: Abstract Structural, mechanical and optoelectronic features of cubic MgxCd1−xS, MgxCd1−xSe and MgxCd1−xTe are calculated using density functional FP-LAPW approach. Exchange-correlation potentials are calculated for structural and mechanical properties with WC-GGA and optoelectronic properties with mBJ,… read more here.

Keywords: cd1; features cubic; mechanical optoelectronic; optoelectronic features ... See more keywords

Theoretical insight of stabilities and optoelectronic features of Ru-based Heusler alloys: Ab-initio calculations

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0 Published in 2021 at "Computational Condensed Matter"

DOI: 10.1016/j.cocom.2021.e00573

Abstract: Abstract Herein, the structural, elastic, electronic, and optical properties of Ru2TiSi and Ru2VAl Heusler alloys (HAs) compounds were calculated using the pseudopotential scheme within GGA + U approach. The obtained equilibrium ground states of properties were compared… read more here.

Keywords: stabilities optoelectronic; heusler alloys; theoretical insight; optoelectronic features ... See more keywords