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Bond energies and defect forces around a vacancy in BCC transition metals

โœ Scribed by Ohta, Y; Finnis, M W; Pettifor, D G; Sutton, A P

Book ID
120313416
Publisher
Institute of Physics
Year
1987
Tongue
English
Weight
537 KB
Volume
17
Category
Article
ISSN
0305-4608

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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
โœ F. Willaime; A. Satta; M. Nastar; O. Le Bacq ๐Ÿ“‚ Article ๐Ÿ“… 2000 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 271 KB ๐Ÿ‘ 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