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• W2062727841 abstract "Based on periodic structural models containing 90 atoms which are computer relaxed, the electronic structures of metallic glasses ${mathrm{Cu}}_{x}{mathrm{Zr}}_{1ensuremath{-}x}$ are calculated using a first-principles orthogonalized linear combination of atomic orbitals method. The calculated density-of-states curves and their values at the Fermi level are in good agreement with experiments. Each electronic state in ${mathrm{Cu}}_{x}{mathrm{Zr}}_{1ensuremath{-}x}$ is analyzed in terms of a localization index. It is shown that the Cu states are localized and the Zr states are relatively delocalized. The states at the Fermi level are delocalized but there is a tendency for a slight increase in their localization index when the Cu concentration is increased. The implications of these results for the transport properties of metallic glasses are discussed." @default.
• W2062727841 created "2016-06-24" @default.
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• W2062727841 date "1984-07-15" @default.
• W2062727841 modified "2023-10-02" @default.
• W2062727841 title "Calculation of electron states in<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>Cu</mml:mi></mml:mrow><mml:mrow><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>Zr</mml:mi></mml:mrow><mml:mrow><mml:mn>1</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math>glasses by the orthogonalized linear combination of atomic …" @default.
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• W2062727841 doi "https://doi.org/10.1103/physrevb.30.544" @default.
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