Local structure, zero field splitting and optical absorption of Mn2+ doped ZnK2(SO4)2·6H2O single crystals

Abstract

The Mn²⁺ doped ZnK₂(SO₄)₂·6H₂O (ZKS) single crystal zero field splitting parameters are obtained using the superposition model. The evaluated parameters agree well with those found from EPR. The conclusion of the experiment that in ZKS, the Mn²⁺ ion takes the place of the Zn²⁺ site is verified by theoretical analysis. The crystals’ optical spectra are estimated by utilizing the crystal field parameters obtained from the superposition model and the crystal field analysis computer program. A good agreement between the calculated and experimental band positions is found. Thus, the experimental results are confirmed by the theoretical studies.