Abstract
The fundamentals of the theory of the electronic structure of impurity clusters and the results of numerical calculations for the iron-, lanthanum-, and actinium-group ions in Me +n: [L]k clusters are presented. The effects of the interionic distance and ligands in the Me +n: [L]k clusters on the electronic structure of the nl N and nl N−1 n′l′ configurations of the 3d, 4f, and 5f ions are considered. The correspondence between the optical and x-ray spectra of different impurity crystals is also analyzed.
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Translated from Fizika Tverdogo Tela, Vol. 44, No. 8, 2002, pp. 1421–1427.
Original Russian Text Copyright © 2002 by Kulagin.
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Kulagin, N.A. Ab initio theory of the electronic structure and spectra of impurity nl ions. Phys. Solid State 44, 1484–1490 (2002). https://doi.org/10.1134/1.1501342
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DOI: https://doi.org/10.1134/1.1501342