Investigation of the zero-field splittings for Mn2+ion in MgF2crystal from the superposition model and the spin-orbit mechanism

The zero-field splittings D and E for Mn2+ in MgF2 crystal have been calculated from the superposition model and the spin-orbit mechanism. The results show reasonable agreement with the experimental values. The disparity in magnitude between calculation and experiment in the case of using spin-orbit mechanism is due mainly to neglecting the contributions from other mechanisms. It appears that the superposition model and the spin-orbit mechanism are applicable to the studies of the zero-field splittings for Mn2+ ion in rutile-type fluorides. The difficult in explaining the splittings D and E for MnF2 and ZnF2: Mn2+ crystals from the superposition model and the spin-orbit mechanism is caused from the unreliability of the observed D and E values.