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- W941739765 abstract "Electronic structure and magnetic properties of ZnMX2 (M=Sc, V, Mn and Fe; X= As and P) compounds in body centred tetragonal chalcopyrite structure have been investigated using first-principles calculations based on density functional theory (DFT) within the local spin density approximation (LSDA). The spin-polarized electronic band structure and density of states of all these compounds show that the spin-up electrons have metallic and the spin-down electrons have a semiconducting gap and the magnetic moment mainly originates from the strong spin polarization of 3d states of transition metal (M=Sc, V, Mn and Fe) atoms and p-like states of anion X (P and As) atoms." @default.
- W941739765 created "2016-06-24" @default.
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- W941739765 creator A5074449624 @default.
- W941739765 date "2015-01-01" @default.
- W941739765 modified "2023-09-23" @default.
- W941739765 title "Half-metallic ferromagnetism in chalcopyrite type compounds ZnMX2 (M=Sc, V, Mn, Fe; X = P, As)" @default.
- W941739765 doi "https://doi.org/10.1063/1.4918010" @default.
- W941739765 hasPublicationYear "2015" @default.
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