Zero-field splitting ofMn2+ions in scheelites

Abstract
The spin-Hamiltonian parameters of the S6 ground state of Mn2+ have been measured for seven crystals with scheelite structure in the temperature range 4.2-350 K. The low-temperature values of the zero-field parameters reflecting the contributions from the static lattice are discussed with respect to the usual theories of S-state splitting. The applicability of the superposition model and of different point-charge models is revised. In this particular case the dominant part of the crystal-field contributions can be explained by a relativistic splitting mechanism. The appropriate crystal-field coefficients required are obtained by numerical calculations, the corresponding point charges being related to simple aspects of chemical bonding.

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