Browsing Yarub Al-Douri, Assoc. Prof. Dr. by Subject "Ab initio calculations"
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Structural, elastic, electronic and optical properties of the newly synthesized monoclinic Zintl phase BaIn₂P₂
(Elsevier, 2014-03)The present study explores the structural, elastic, electronic and optical properties of the newly synthesized monoclinic Zintl phase BaIn₂P₂ using a pseudopotential plane-wave method in the framework of density functional ...