Abstract
The energy levels and wave functions of the F-center in CaO and MgO have been calculated as function of the A 1 g and E g displacements of the nearest neighbor ions of the oxygen vacancy. In CaO, the calculated level scheme partially supports the interpretation of published experimental data on the luminescence bands but there are significant discrepancies. The localization of the wave function of the 3 T 1 u state is rapidly varying function of the A 1 g lattice distortion. The present calculations give a Jahn-Teller splitting of this state of between 0.15 and 0.2 eV.
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