INVESTIGATION OF THE ZERO-FIELD SPLITTING AND G-VALUES OF D(8) IONS IN TRIGONAL COMPOUNDS CSMGX(3)NI2+ (X=CL, BR, I)

This paper presents a cluster approach to the zero-field splitting (ZF S) and the spectroscopic splitting factor of the ground-state (3)A(2)( F) of d(8) ions with trigonal symmetry, in which not only the spin-orb it coupling of the central transition-metal ion but also that of ligan ds contributes. The calculated values of the EPR parameters follow the order Cl- > Br- > I- for CsMgX(3):Ni2+. This agrees with the experime ntal findings, while the pure crystal field approach considering only the coupling of the central metal ion yields the opposite trend.