First-principles ionicity scales. I. Charge asymmetry in the solid state
Journal Article
·
· Physical Review, B: Condensed Matter; (United States)
- Department of Physics, University of California, Berkeley, California 94720 (United States) Materials Sciences Division, Lawrence Berkeley Laboratory, Berkeley, California 94720 (United States)
Using a measure of the asymmetry of the valence charge distribution in [ital A][sup [ital N]B8[minus][ital N]] compounds, a mapping to Phillips's ionicity scale is achieved.
- DOE Contract Number:
- AC03-76SF00098
- OSTI ID:
- 6743127
- Journal Information:
- Physical Review, B: Condensed Matter; (United States), Vol. 47:8; ISSN 0163-1829
- Country of Publication:
- United States
- Language:
- English
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