Orbital and angle dependency of the superexchange interaction: ACuO(3) (A = Se, Te)

Abstract

We have investigated electronic and magnetic properties of SeCuO3 and TeCuO3. We have confirmed the ferromagnetic (FM) and the A-type antiferromagnetic (AFM) ground state for SeCuO3 and TeCuO3, respectively, and demonstrated the orbital ordering in these systems. We have also performed the analytic calculation on the angle dependency of the superexchange interaction based on the calculated orbital structure, and explained the transformation from the FM state for SeCuO3 to the AFM state for TeCuO3. (c) 2006 Elsevier B.V. All rights reserved.