Abstract
Based on the crystal- and ligand-field theory, the optical absorption spectra and electron paramagnetic resonance (EPR) g factor of Ni 2+ ion at Mg 2+ position in MgO have been investigated. The bond length (i.e. Ni 2+–O 2− distance) was determined from the cubic field parameter Dq; the crystal field Hamiltonian including the spin–orbital (SO) coupling effect of the ligand was diagonalized in the complete basis of 45 wave functions. Results of calculations are in a good agreement with experimental data.
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