Local structure and optical and zero field splitting of Mn 2+ intoxicated Cd Cs 2 ( SO 4 ) 2 · 6H 2 O single crystals

The Mn 2+ intoxicated Cd Cs 2 (SO 4 ) 2 ·6H 2 O (CCS) single crystals' splitting parameters of zero field are computed utilizing the superposition model. The determined parameters match well with those obtained from EPR. The inference of EPR experiment that in CCS, the Mn 2+ ion takes the position of the Cd 2+ site is verified by theoretical study. The crystal's optical spectra are found by utilizing the crystal field parameters evaluated from the superposition model and crystal field analysis program. A fair match between the calculated and experimental band positions is noted. Therefore, the experimental findings are confirmed by the theoretical calculations.