| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1562103 | Computational Materials Science | 2011 | 8 Pages |
Abstract
⺠All electron B3LYP calculated structural, dielectric, and optical properties of first six alkali halides. ⺠Effect of external electric field on electronic and structural properties of alkali halides. ⺠Explanation of band widening and band-gap reduction in the presence of external electric field. ⺠Dielectric strengths calculated using von Hippel's low-energy criterion and Callen's equation.
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Authors
C.S. Praveen, A. Kokalj, M. Valant,