Orientation and structure dependence of interface magnetocrystalline anisotropy of Co/Cu overlayers and superlattices

The full potential linearized augmented plane wave method and atomic force approach are employed for the theoretical determination of interface magnetocrystalline anisotropy (MCA) for superlattice systems of Co/Cu in (001), (110), and (111) orientations, and overlayer systems of the monolayer Co on Cu (111) substrate adsorbed by different further coverage of Cu. It is found in superlattices that the interface MCA is sensitive to the geometry arising from different orientations. In good agreement with experiment, the interface MCA with Cu overlayers is found to peak at 1 monolayer of Cu-coated Co/Cu(111) and then to decrease with further Cu deposition. In addition to the hybridization of electronic states at the Co/Cu interface, the interaction between the interface layers and the next-to-interface layers in superlattices and structure relaxation in overlayers may have a significant influence on the MCA of the Co layer.