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First-principles calculation of the phonon frequencies inγFe

✍ Scribed by S. A. Ostanin; E. I. Salamatov; V. I. Kormilets


Book ID
110117916
Publisher
SP MAIK Nauka/Interperiodica
Year
1997
Tongue
English
Weight
81 KB
Volume
39
Category
Article
ISSN
1063-7834

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Self-and impurity diffusivities in body-centered-cubic (bcc) iron have been calculated within the formalisms of harmonic transitionstate theory and the Le Claire nine-frequency model for vacancy-mediated diffusion. The approach combines first-principles calculations of vacancy formation, migration,