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• W2101408254 abstract "In this work, the electronic structure and disorder effects in copper halides alloys are studied by means of the full potential linearized augmented plane wave (FLAPW) method. The calculated bowing parameter shows that the main contribution is due to the relaxation effects, though the charge transfer remains relatively significant, while the volume deformation contribution is negligible. The total bowing is found to be small in the three studied alloys. Results agree well with experimental and available theoretical works." @default.
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• W2101408254 date "2001-08-01" @default.
• W2101408254 modified "2023-10-02" @default.
• W2101408254 title "Electronic structure of CuClxBr1−x, CuClxI1−xand CuBrxI1−xalloys" @default.
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• W2101408254 doi "https://doi.org/10.1006/spmi.2001.0995" @default.
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