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• W2024133775 abstract "We calculated the electronic structures of the Heusler alloy ${mathrm{Ni}}_{2}mathrm{FeGa}$ for both the cubic and the orthorhombic structures by self-consistent full-potential linearized-augmented plane-wave method. The localized moment of Fe atom is interpreted based on the electronic structure and the popular explanation of the localized moment of Mn in Heusler alloy ${X}_{2}mathrm{Mn}Y.$ Comparing the density of states of cubic and orthorhombic structures, we observed that a Ni peak near the density of states of d band for the cubic structure splits for the orthorhombic structure, indicating a band Jahn-Teller mechanism should be responsible for the structural transition. Accompanied by this transformation, an increase of Ni moment and magnetization redistribution occurred. Temperature-dependence anisotropy field shows an evidence of martensitic transformation between 125 and 190 K. The magnetic behavior seems to contain a transition from Heisenberg-like at temperature below 70 K to itinerant magnetism at temperature higher than 160 K upon martensitic transformation. Temperature dependence of saturation magnetization reveals the spontaneous magnetization at martensite and parent phase are $3.170{ensuremath{mu}}_{B}$ and $3.035{ensuremath{mu}}_{B},$ respectively. The calculated magnetic moment at martensite is $3.171{ensuremath{mu}}_{B},$ which is quite consistent with the experimental value. The magnetic moment of Fe and Ni atom in Heusler alloy ${mathrm{Ni}}_{2}mathrm{FeGa}$ is analyzed based on the computational results and the experimental magnetization curves. It is found that the magnetic moment of Fe atoms is about $10--43%$ larger than that of $ensuremath{alpha}$-Fe." @default.
• W2024133775 created "2016-06-24" @default.
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• W2024133775 date "2004-04-12" @default.
• W2024133775 modified "2023-10-14" @default.
• W2024133775 title "Electronic structure and ferromagnetism in the martensitic-transformation material<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>Ni</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mi mathvariant=normal>FeGa</mml:mi></mml:math>" @default.
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• W2024133775 doi "https://doi.org/10.1103/physrevb.69.134415" @default.
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