Abstract
The effect of excited configurations 3d54p, 3d54d, and 3d54f on the crystal field levels Γ3 and Γ5 of tetrahedral and octahedral Fe2+ ion via crystal field interaction has been discussed. The shift of the Γ3 and Γ5 levels due to configuration interaction has been estimated in the two cases within the framework of crystal field model carrying out the perturbation calculation up to second order and using Slater functions for the radial integrals. Such calculation shows that in the case of tetrahedral Fe2+ ion in ZnS, the net effect of the excited configurations 3d54p, 3d54d, and 3d54f on the crystal field spectra is to close up the levels Γ5 and Γ3 by an appreciable amount of about 1000 cm−1 and the major part of the contribution comes from 3d54p. In the octahedral case also (Fe2+ in MgO), the effect arising from 3d44d only is not negligible although comparatively smaller, the separation (Γ3−Γ5) is narrowed by about 380 cm−1.
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