Theoretical studies of the g factors for Co2+ in MgO and CaO crystals

This paper presents a cluster approach to the calculation of the g factors for 3d(7) ions in cubic octahedral crystals, in which the parameters relate d to the configuration interaction and the covalency reduction effects are obtained from optical spectra of the studied crystals, and so no adjustable parameters are applied. From the approach, the g factors for MgO:Co2+ and CaO:Co2+ are calculated. The calculated results show good agreement with th e observed values. The experimental values of g < 4.333 (the first order va lue in absence of configuration and covalency interactions) for MgO:Co2+ an d g > 4.333 for CaO:Co2+ are also explained.