First-principles calculations of p -type impurities in cubic SiC
β Scribed by Fukumoto, Atsuo
- Book ID
- 118241885
- Publisher
- The American Physical Society
- Year
- 1996
- Tongue
- English
- Weight
- 118 KB
- Volume
- 53
- Category
- Article
- ISSN
- 1098-0121
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π SIMILAR VOLUMES
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,
We have studied the vacancy-solute atom interactions in body-centered cubic Fe by means of first-principles calculations to obtain a better understanding of them for the application of ferritic steels, which are very important structural materials for fission and fusion reactors. The interactions be