Spectroscopy of 3d impurities in covalent semiconductors

K. A. Kikoin*, V. N. Fleurov

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review


The crystal-field theory of 3d impurity ions is extended to the case of strongly covalent semiconductors. Analytical expressions are obtained for the crystal-field splitting, spin-orbit splitting and Racah parameters with the inclusion of covalent effects. The Koopmans theorem for the impurity d states is shown to be invalid in strongly covalent crystals. The connection is established between the one-electron language of the band theory of deep levels and the many-electron classification of intracentre spectroscopy.

Original languageEnglish
Article number017
Pages (from-to)2357-2373
Number of pages17
JournalJournal of Physics C: Solid State Physics
Issue number13
StatePublished - 1984


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