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Electronic structure of CuClxBr1 − x, CuClxI1 − xand CuBrxI1 − xalloys

✍ Scribed by F. El Haj Hassan; A. Zaoui

Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
499 KB
Volume
30
Category
Article
ISSN
0749-6036

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✦ Synopsis

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.

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