Analytical Investigations of Spin-Spin, Spin-Other-Orbit and Combined Mechanisms of Zero-Field Splitting for 3d3 Ions at Trigonal Symmetry

Abstract

A new method of obtaining approximate analytical expressions of zero-field splitting (ZFS) has been proposed. By analyzing the magnetic interaction mechanisms which affect the properties of ZFS of ground 4 A 2 state for 3d3 ions at trigonal symmetry, and comparing with the calculated results of complete diagonalization method, the approximate analytical expressions of the contribution to zero-field splitting of 4 A 2 state from spin-spin (SS), spin-other-orbit (SOO), and combined mechanisms have been obtained. Also the applicability of these approximate analytical expressions has been analyzed. It is shown that the approximate analytical expressions are suitable in a wide crystal field parameters range.