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
Impact of Electronic Structure Calculations on the Study of Diffusion in Metals
✍ Scribed by F. Willaime
- Publisher
- John Wiley and Sons
- Year
- 2001
- Tongue
- English
- Weight
- 308 KB
- Volume
- 3
- Category
- Article
- ISSN
- 1438-1656
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We are grateful to two referees for their suggestions to include solid-state NMR data. We thank M. Wehring and W. Böhlmann (Leipzig) for acquiring these data.