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F and Z bands in alkali halide crystals doped with calcium, cadmium and cobalt

✍ Scribed by S.C. Jain; D.C. Parashar

Publisher
Elsevier Science
Year
1963
Weight
259 KB
Volume
4
Category
Article
ISSN
0031-9163

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Ab initio calculations for absorption an
Ab initio calculations for absorption and emission energies of alkali halide crystals doped with thallium
✍ J. F. Rivas-Silva; L. RodrΓ­guez-Merino; M. Berrondo; A. Flores-Riveros πŸ“‚ Article πŸ“… 2000 πŸ› John Wiley and Sons 🌐 English βš– 156 KB πŸ‘ 1 views

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