Electronic structure calculations of vac
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F. Willaime; A. Satta; M. Nastar; O. Le Bacq
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Article
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2000
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John Wiley and Sons
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English
β 271 KB
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The group dependence, i.e., the variation with the number of d valence electrons, of vacancy parameters in transition metals with the body-centered cubic (bcc) structure is investigated via a combination of electronic structure calculation techniques. A semiempirical tight-binding d-band approach is