Conversions of the Second-Rank Zero Field Splitting Parameters Measured Assuming the Fictitious Spin S'=1 to those for the Effective Spin S̃=2

Abstract

We investigate feasibility of comparison between the zero field splitting parameters obtained experimentally based on the spin Hamiltonian with the fictitious spin S = 1 and those with the effective spinS = 2. The former zero field splitting parameters have recently been measured for Fe 2+ ions in forsterite Mg2SiO4, whereas the latter zero field splitting parameters are available in literature, e.g. for Fe 2+ and Cr 2+ (S = 2) ions. It turns out that no unique direct comparison is feasible and hence appropriate conversion relations need to be derived. Methodology for such conversions is outlined. Various combinations of the possible energy level schemes for the spinS = 2 and S = 1 are briefly described. Illustrative preliminary results concerning appropriate conversions of the second-rank zero field splitting parameters measured by high-frequency EMR for Fe 2+ in natural and synthetic forsterite are presented. Detailed results and full analysis will be given elsewhere.