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Energy Spectrum and g Factors of α-Al2O3:Ni2 and Their Pressure-Induced Shifts

A unified calculation of the whole energy spectrum and g factors of the ground state at normal pressure and their pressure-induced shifts for α-Al2O3:Ni2 has been carried out on the basis of the theory of pressure-induced shifts and the diagonalization of the complete d8 energy matrix adopting C3v symmetry. The calculated results are in very good agreement with all the experimental data. The rates of change of all the levels with respect to various parameters and the contributions to typical levels or splittings 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,and the pressure-induced shifts (especially those of ) have provided important or,crucial criteria for the correctness of the calculation and assignment of the energy spectrum of α-Al2O3:Ni2.