Investigations of the Gyromagnetic Factors for the Ni3+ Center in MgO

Abstract

The electron paramagnetic resonance (EPR) gyromagnetic factors for the Ni3+ center in MgO are theoretically investigated using the improved g formulas for a tetragonally elongated octahedral 3d7 complex suffering the dynamical Jahn-Teller effect. From the studies, the impurity Ni3+ center is found to undergo the relative elongation along the tetragonal axis by about 1%. The calculated g value shows good agreement with the observed result, and the improvement in the theoretical calculations is achieved in this work as compared with the previous treatments. The local structure of the impurity center is discussed.