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• W2022687694 abstract "The effect of doping V on the electronic structure and magnetic properties of Mn3Al has been studied by density functional calculations. It is found that the V atoms for all the doped compounds prefer to enter into the B sites, and further they tend to enter into the (A, C) sites in Mn3Al. The calculations show that the alloys (Mn12−xVx)Al4 (x=0, 1, 2, 3, 4, 5, 6, 7) are ferrimagnetic whereas V2MnAl (x=8) is nonmagnetic. The compounds of x=0, 1, 2, 3, 4 exhibit the half-metallic character, and the compound of x=5 shows a nearly half-metallicity since the Fermi level slightly touches the valence bands. For x=6 and 7, the spin polarization is 59% and 69%, respectively. The reason is mainly attributed to the behavior of Mn(A,C)/V(A,C) atoms." @default.
• W2022687694 created "2016-06-24" @default.
• W2022687694 creator A5022258551 @default.
• W2022687694 creator A5058379929 @default.
• W2022687694 creator A5064961467 @default.
• W2022687694 date "2011-10-01" @default.
• W2022687694 modified "2023-10-01" @default.
• W2022687694 title "Effect of doping V on the half-metallic and magnetic properties of Mn3Al intermetallic compound" @default.
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• W2022687694 doi "https://doi.org/10.1016/j.physb.2011.07.003" @default.
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