Electronic Polarizability, Bulk Modulus and Lattice Energy of Alkali Halide Crystals
β Scribed by Assist. Prof. Dr. V. Kumar; G. M. Prasad; A. R. Chetal; D. Chandra
- Publisher
- John Wiley and Sons
- Year
- 1996
- Tongue
- English
- Weight
- 193 KB
- Volume
- 31
- Category
- Article
- ISSN
- 0232-1300
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π SIMILAR VOLUMES
We calculate transition energies associated with optical properties of thallium doping in alkali halide crystals via an atomic cluster of minimal size where an sp-valence-shell impurity enters as a substitutional defect in the model crystal. Hartree-Fock (HF), density functional theory (DFT), and co
Dedicated to Akademiemitglied Prof. Dr. Dr. R. Rompe on the occasion of his 80th birthlay A b s t r a c t . The aggregation of dipoles consisting of a divalent metal impurity and a cation vacancy in alkali halide crystals is determined mainly by the association energy connected with the formation of