Orbital moment in CoO and in NiO

TL;DR

This paper calculates the orbital and spin magnetic moments of Co2+ in CoO and NiO using a quasi-atomic approach, highlighting the significant orbital contribution in these antiferromagnetic oxides.

Contribution

It provides detailed calculations of orbital and total magnetic moments in CoO and NiO considering strong correlations and spin-orbit coupling, offering insights into their magnetic properties.

Findings

Orbital moment in CoO is 1.39 μB at 0 K, constituting over 34% of the total moment.

NiO has an orbital moment of 0.46 μB and a total moment of 2.45 μB.

The approach emphasizes the importance of orbital contributions in 3d transition metal oxides.

Abstract

The total, orbital and spin moment of the Co2+ ion in CoO has been calculated within the quasi-atomic approach with taking into account strong correlations, crystal-field interactions and the intra-atomic spin-orbit coupling. The orbital moment of 1.39 \mu B amounts at 0 K, in the magnetically-ordered state, to more than 34% of the total moment (4.01 \mu B). The same calculations yield for NiO the orbital and total moment of 0.46 \mu B and 2.45 \mu B, respectively. PACS No: 71.70.E; 75.10.D Keywords: 3d magnetism, crystal field, spin-orbit coupling, orbital moment, CoO, NiO