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- W2611628049 abstract "Abstract In this work, the electronic structure, magnetic and half-metallic properties of the Hf 2 VAl alloy were studied by means of first-principles calculations. Based on the calculated band structures, we found that the Hf 2 VAl alloy with inverse Heusler structure was a half-metallic ferrimagnet. The total magnetic moment of the Hf 2 VAl alloy with inverse Heusler structure was 2 µ B per formula unit, and it obeys the Slater-Pauling rule: M t = 18- Z t . (M t is the total magnetic moment per unit cell and Z t is the valence concentration). The origin of the half-metallicity in the Hf 2 VAl alloy was also well discussed via a schematic diagram of the possible d-d hybridization between the transition-metal elements Hf and V in the current work. The relationship between the total and atomic magnetic moments, calculated spin polarization, and the lattice constants have been studied. Finally, we reveal that this alloy is stable according to the calculated cohesive energy and formation energy. The Hf 2 VAl alloy may be a good candidate for practical applications in spintronics." @default.
- W2611628049 created "2017-05-12" @default.
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- W2611628049 date "2017-08-01" @default.
- W2611628049 modified "2023-09-24" @default.
- W2611628049 title "Electronic structures, magnetic properties and half-metallicity in the Heusler alloy Hf2VAl" @default.
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- W2611628049 doi "https://doi.org/10.1016/j.cjph.2017.04.012" @default.
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