Electronic band structure of the alkali halides. II. Critical survey of theoretical calculations
- 15 June 1975
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 11 (12), 5190-5196
- https://doi.org/10.1103/physrevb.11.5190
Abstract
A review of the results of published energy-band calculations for the alkali halides is presented in which the experimental results of the preceding paper are used as a basis for critical comparison of theory and observation. Band calculations employing Slater exchange are shown to be inadequate, while calculations which take into account correlation effects in a consistent fashion are found to give very good agreement with experiment.Keywords
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