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Electric field gradient in Cu2O from band structure calculations

✍ Scribed by P. Blaha; K. Schwarz


Book ID
112796024
Publisher
Springer
Year
1989
Tongue
English
Weight
296 KB
Volume
52
Category
Article
ISSN
0304-3843

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Electric field gradient calculation in V
✍ N. I. Lazukova; V. A. Gubanov; R. N. Pletnev πŸ“‚ Article πŸ“… 1975 πŸ› John Wiley and Sons 🌐 English βš– 425 KB

## Abstract The electric field gradient at the ^51^V nucleus in V~2~O~5~ has been calculated by the Mulliken–Wolfsberg–Helmholtz method. In contrast to the results obtained from crystal field theory, covalency effects in the MO method are shown to give rise to a valence contribution comparable with