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- W637440038 abstract "We have calculated the electronic structure of ZnVSe 2 by the method of first-principles plane wave pseudopotential (PWP) with density functional theory (DFT) combined with generalized gradient approximation (GGA), such as spin polarized energy band structure, density of states, Mulliken population, magnetic moments and so on. The calculation results show that ternary compound ZnVSe 2 is a half-metallic ferromagnet that shows significant ferromagnetism, its half-metallic energy band gap reaches 0.443 eV. The electron spin polarization is as high as almost 100%, and therefore, ZnVSe 2 may be a useful material for spintronics." @default.
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- W637440038 date "2011-01-01" @default.
- W637440038 modified "2023-09-24" @default.
- W637440038 title "First principles study on half-metallic ferromagnetismof ternary compounds ZnVSe" @default.
- W637440038 doi "https://doi.org/10.7498/aps.60.046301" @default.
- W637440038 hasPublicationYear "2011" @default.
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