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Self-consistent calculations for the electronic structure of a vacancy in copper. A solution of the embedding problem

✍ Scribed by R. Zeller; P.J. Braspenning

Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
305 KB
Volume
42
Category
Article
ISSN
0038-1098

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Electronic structure calculations of vac
Electronic structure calculations of vacancy parameters in transition metals: Impact on the bcc self-diffusion anomaly
✍ F. Willaime; A. Satta; M. Nastar; O. Le Bacq πŸ“‚ Article πŸ“… 2000 πŸ› John Wiley and Sons 🌐 English βš– 271 KB πŸ‘ 2 views

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