Ab-initio study of electronic structure and magnetic properties of half-metallic Fe{sub 2}Mn{sub 1−x}V{sub x}Si{sub 0.5}Al{sub 0.5} alloys
Ab-initio electronic structure calculations are carried out for quinternary Fe{sub 2}Mn{sub 1−x}V{sub x}Si{sub 0.5}Al{sub 0.5} alloys. When x=0 the alloy is half-metallic ferromagnet, with magnetic moment following the Slater–Pauling rule. Replacement of Mn by V, changes its electronic and magnetic structure. V-doped alloys exhibit half-metallic behavior for x≤0.25. However, even for higher V concentrations, electronic spin polarization is still very high, what makes the alloys interesting for spintronic applications. - Graphical abstract: Densities of states of Fe{sub 2}MnSi{sub 0.5}Al{sub 0.5} and magnetic moments of Fe{sub 2}Mn{sub 1−x}V{sub x}Si{sub 0.5}Al{sub 0.5}. - Highlights: • Fe{sub 2}MnSi{sub 0.5}Al{sub 0.5} is a half-metallic ferromagnet with a minority band gap of 0.49 eV. • Half-metallic band gap is very stable against the change of the lattice parameter. • Half-metallic band gap is obtained for Fe{sub 2}Mn{sub 1−x}V{sub x}Si{sub 0.5}Al{sub 0.5} for x≤0.25. • Electronic spin polarization is very high and equal to at least 95% for x≤0.625. • The main carrier of magnetism of the compound is manganese.
- OSTI ID:
- 22443437
- Journal Information:
- Journal of Solid State Chemistry, Vol. 219; Other Information: Copyright (c) 2014 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); ISSN 0022-4596
- Country of Publication:
- United States
- Language:
- English
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