Browsing Institute of Nano Electronic Engineering (INEE) (Articles) by Subject "FP-LAPW"
Now showing items 1-3 of 3
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An ab initio study of the electronic structure and optical properties of CdS1-xTex alloys
(Elsevier Ltd., 2010-12)The structural, electronic and optical properties of cubic CdS1-xTex alloys, with Te-concentrations varying from 0% up to 100% are investigated. The calculations are based on the total-energy calculations using the full ... -
External temperature and pressure effects on thermodynamic properties and mechanical stability of yttrium chalcogenides YX(X=S, Se and Te)
(Elsevier B.V., 2013)The full potential linearized augmented plane wave method within the framework of density functional theory is employed to investigate the structural, thermodynamic and elastic properties of the yttrium chalcogenides (YX: ... -
Structural and electronic properties of zinc blende B xAl 1-xN yP 1-y quaternary alloys via rst-principle calculations
(Elsevier B.V., 2012-02-01)The structural and electronic properties of cubic zinc blende BN, BP, AlN and AlP compounds and their B xAl 1-xN yP 1-y quaternary alloys, have been calculated using the non relativistic full-potential linearized-augmented ...