Superposition model analysis of zero field splitting for Mn2+ in some host single crystals

Abstract

The Newman superposition model has been used to investigate the substitution of Mn2+ for Zn2+ site in ammonium tetra flurozincate dihydrate and for Co2+ site in cobalt ammonium phosphate hexahydrate and cobalt potassium phosphate hexahydrate single crystals. The calculated values of zero field splitting parameter b20 at room temperature fit the experimental data with average intrinsic parameters \( \overline{b}_{2} \) (F) = −0.0531 cm−1 for fluorine and \( \overline{b}_{2} \) (O) = −0.0280 cm−1 for oxygen, taken t2 = 7 for Mn2+ doped in ammonium tetra fluorozincate dihydrate single crystals. The values of \( \overline{b}_{2} \) determined for Mn2+ doped in cobalt ammonium phosphate hexahydrate are −0.049 cm−1 for site I and −0.045 cm−1 for site II and in cobalt pottasium phosphate hexahydrate single crystals it is found to be \( \overline{b}_{2} \) = −0.086 cm−1. We find close agreement between theoretical and experimental values of b20.