Atomic-scale description of the paramagnetic susceptibility of non-magnetic Ba2YMoO6
Abstract
We succeeded in remarkably nice theoretical description of the temperature dependence of the paramagnetic susceptibility of Ba2YMoO6 in the whole temperature range as originating from the atomic-scale discrete electronic structure of Mo5+ ions in the 4d1 configuration resulting from crystal-field and spin-orbit interactions. A strong violation of the Curie-Weiss law and a nonmagnetic state of BYMo experimentally-observed down to 50 mK is caused by the dramatical reduction of the Mo-ion magnetic moment. The quantitative reproduction of (T) proves that almost all Mo ions are in the Mo5+ state over the whole temperature range.
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