Axial zero-field splitting parameter modeling and the crystal-field energy levels for Mn 2+ ions doped MgK 2 (SO 4 ) 2 .6H 2 O single crystals

Modeling of the crystal field energy levels and axial zero-field splitting for Mn2+ doped MgK2(SO4)2.6H2O (MKS) single crystals is carried out utilizing perturbation theory and the superposition model. The experimental value and the theoretical axial zero-field splitting parameter D are found to be in good agreement. This validates the experimental result that Mn2+ ions replace Mg2+ ions in single crystal of MKS. The crystal field analysis (CFA) package and the crystal field parameters are utilized to compute the optical spectra of the Mn2+ doped MKS crystal. The experimental and calculated CF energy levels are mutually consistent for the majority of transitions. Thus, the theoretical analysis supports the experimental result.