The formation of a non-magnetic state for the d6 electronic system

Abstract

It has been shown that the crystal-field interactions can produce a non- magnetic singlet ground state for the highly-correlated d6 system situated in the quasi-octahedral crystal field (CEF) surrounding provided the spin-orbit interactions are correctly taking into account. The spin-orbit interactions in combination with the trigonal distortion of the cubic CEF interactions produce a peculiar energy level scheme with a non-magnetic ground state and highly- magnetic excited states at 11 and 70 meV. The calculated temperature dependence of the magnetic susceptibility exhibits very substantial departure from the Curie law that is due to second-order CEF interactions. The present considerations can be applied to Co3+ and Fe2+- ion compounds. The derived electronic and magnetic properties mimic very much those found experimentally for LaCoO3.