ELECTRONIC STRUCTURE OF THE F CENTER IN THE ALKALINE EARTH OXIDES

Publisher Website
Google Scholar
Abstract
The energy levels and wave functions of the ground and first few singlet and triplet excited states of the F center in MgO, CaO and SrO have been calculated as a function of the nearest neighbor ion positions. Configuration coordinate curves for Aig, Eg and T2g displacements have been constructed and used to interpret the absorption and luminescence bands of the F center. The energy of the tAig -^'Tm transition was set near the experimental value in each case by adjusting certain parameters in the model. The calculated energy level schemes partially support the interpretations of published experimental data on the luminescence bands in MgO and CaO and suggest that the 3Tin ->• 'Aig luminescence in SrO should occur at roughly 0.6 eV. A luminescence band associated with the F center in SrO has not yet been reported. Our calculations of the Jahn Teller coupling constants indicate that the 3Tiu

This publication has 0 references indexed in Scilit: