Self-organisation and magnetic properties of Co nanostructures embedded in a Cu(100) surface

Using a self-learning kinetic Monte-Carlo method, the formation of embedded Co nanostructures is investigated on an atomic scale. The atomic processes responsible for the formation of the simplest types of nanostructures are identified. We demonstrate that the time evolution of the Cu(100) surface with the embedded Co atoms can be divided into three stages. The surface morphology is observed during these three stages at substrate temperatures of 300–400 K and low concentrations of Co atoms. The magnetic properties of the structures forming in the first two stages are calculated using density functional theory. The spin and orbital magnetic moments and the magnetic anisotropy energy of these embedded nanostructures are obtained. In this way, the time evolution of the structural and magnetic properties of a Cu(100) surface with embedded Co atoms is investigated.