Abstract
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 language | English |
|---|---|
| Article number | 017 |
| Pages (from-to) | 2357-2373 |
| Number of pages | 17 |
| Journal | Journal of Physics C: Solid State Physics |
| Volume | 17 |
| Issue number | 13 |
| DOIs | |
| State | Published - 1984 |