Browsing Center of Excellence for Geopolymer and Green Technology (CEGEOGTECH) (Articles) by Subject "Exchange correlation energy"
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Optoelectronic and thermoelectric properties of KAuX5 (X = S, Se): A first principles study
(Springer Verlag, 2014-02)The electronic structure as well as optical and thermoelectric properties of the orthorhombic polychalcogenides of gold KAuX5 (X = S, Se) compounds have been investigated using full-potential linearized augmented plane ...