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• W2082854999 abstract "We investigate the atomic disorder effects on the half-metallicity of the full-Heusler alloy ${mathrm{Co}}_{2}({mathrm{Cr}}_{1ensuremath{-}x}{mathrm{Fe}}_{x})mathrm{Al}$ from first principles by using the Korringa-Kohn-Rostoker method with the coherent potential approximation. Our results show that disorder between Cr and Al does not significantly reduce the spin polarization of the parent alloy ${mathrm{Co}}_{2}mathrm{CrAl},$ while disorder between Co and Cr makes a considerable reduction of the spin polarization. It is observed that the spin polarization of ${mathrm{Co}}_{2}({mathrm{Cr}}_{1ensuremath{-}x}{mathrm{Fe}}_{x})mathrm{Al}$ decreases with increasing Fe concentration x in both the ordered ${L2}_{1}$ and the disordered $B2$ structures, and that the effects of the disorder on the spin polarization is significant at low Fe concentrations. The results suggest that a highly spin-polarized ferromagnet with high Curie temperature will be obtained if a ${mathrm{Co}}_{2}({mathrm{Cr}}_{1ensuremath{-}x}{mathrm{Fe}}_{x})mathrm{Al}$ with the ordered ${L2}_{1}$ structure can be fabricated at low Fe concentrations." @default.
• W2082854999 created "2016-06-24" @default.
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• W2082854999 date "2004-04-12" @default.
• W2082854999 modified "2023-10-16" @default.
• W2082854999 title "Atomic disorder effects on half-metallicity of the full-Heusler alloys<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>Co</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mo>(</mml:mo><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>Cr</mml:mi></mml:mrow><mml:mrow><mml:mn>1</mml:mn><mml:mi>−</mml:mi><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:…" @default.
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• W2082854999 doi "https://doi.org/10.1103/physrevb.69.144413" @default.
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