High‐Order Perturbation Formulae of the Spin‐Hamiltonian Parameters for the Ground State 3A2(F) of d8 Ions in Rhombic Symmetry

Publisher Website
Google Scholar
Abstract
High‐order perturbation formulae of the spin‐Hamiltonian parameters D and E and the g‐factor for the ground state 3A2(F) of d8 ions are obtained in the strong‐field coupling scheme. In the derivation, not only spin triplet states but also spin singlet states are considered. According to Zhao's μkα‐correlation ligand field model for the Ni2+−6X−(F−, Cl−, Br−, I−) complexes, the relationships between the spin‐Hamiltonian parameters and the crystalline ones of the Ni2+−6X− cluster are established and applied to ZnF2:Ni2+ and NiF2. In the calculation, no adjustable parameter is introduced. The results agree well with the experimental findings, indicating that the given relationships are reasonable.