A theoretical analysis of zero-field splitting parameters of Cr3+ in ammonium lithium sulphate

The superposition model has been used to investigate the crystal-field parameters of Cr3+ ion in ammonium lithium sulphate and then, zero-field splitting (ZFS) parameters D and E are calculated by the perturbation formulae. Both the ZFS parameters D and E evaluated theoretically are found to be in good agreement with the experimental values, Dexp and Eexp.