Magnetism in the interface of Co/CoO

We have employed first-principles calculations to study the magnetic properties of the binary system Co-O. Two types of calculations were carried out: i. Co-O clusters of 13, 14 and 19 atoms and ii. Co/CoO bilayer. The Co/CoO bilayer forms a ferromagnetic-antiferromagnetic interface. The geometrical structures of the clusters and of the Co/CoO bilayer were optimized via ab initio collinear and non-collinear calculations. The spin-orbit interaction was included, too. We found that the addition of the O atom in the Co cluster leads to an increase of the μCo values of O’s adjacent Co atoms. At the bilayer, the Co atoms in the interface have enhanced magnetic moment compared to the corresponding values of the bulk Co in agreement with the experiment