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Interrelations between Interionic Separation, Lattice Energy, and Plasma Energy for Alkali Halide Crystals

✍ Scribed by Dr. R. R. Reddy; M. Ravi Kumar; Prof. T. V. R. Rao


Publisher
John Wiley and Sons
Year
1993
Tongue
English
Weight
250 KB
Volume
28
Category
Article
ISSN
0232-1300

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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