Abstract
It has been shown that the crystal–field interactions can produce a non-magnetic singlet ground state for the highly-correlated d 6 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 Co 3+ and Fe 2+-ion compounds like LaCoO 3 and FeBr 2. The derived electronic and magnetic properties mimic very much those found experimentally for LaCoO 3.
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