Orbital moment in CoO and in NiO

The total, orbital and spin moment of the Co2+ ion in CoO have been calculated within the quasi-atomic approach taking into account strong correlations, crystal-field interactions and the intra-atomic spin-orbit coupling. The orbital moment of 1.39mu(B) amounts at 0 K, in the magnetically-ordered state, to more than 34% of the total moment (4.01mu(B)) and yields the LIS ratio of 1.05, close to the experimental value. The same calculations yield for NiO the orbital and total moment of 0.46mu(B) and 2.45mu(B), respectively. (C) 2003 Elsevier B.V. All rights reserved.