Abstract

The unified calculation of the whole energy spectrum and g factor of ground state for MgO:Ni2+ at normal pressure and their pressure-induced shifts has been carried out on the basis of the theory of pressure-induced shifts and the diagonalization of the complete d8 energy matrix in a regular octahedral field. A11 the calculated results are in excellent agreement with a lot of experimental data. For the first time, by using the wavefunctions obtained by diagonalization of the complete energy matrix, the pressure-induced shift-of g factor has satisfactorily been calculated and explained by microscopic theory The contributions to typical levels from various parameters have been calculated. The distinct differences of pressure-induced shifts of various levels are immediately determined by their characteristic dependencies on the parameters of interactions. The pressure-induced shifts of levels have provided important criteria for the correctness of the calcutation and assignment of them.

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