Frustrated network of indirect exchange paths between tetrahedrally coordinated Co in Ba2CoO4

We present a detailed study of the electronic and magnetic interactions Ba2CoO4, structurally very uncommon because isolated CoO4 distorted tetrahedral coordination. show presence Co(d)-O(p) hybridized states characterized by spin polarized oxygen atoms, with their moments parallel to that on Co. The calculated isotropic exchange interaction parameters, which include contributions from ligand spins, demonstrate 3D network couplings, are partially frustrated in identified ground state. Our results indicate dominant indirect mechanism responsible for this state is mediated O atoms along Co-O...O-Co path.