Kinetic Monte Carlo study of self-organization of low-dimensional nanostructures on fcc (110) surfaces

摘要

Performing large-scale atomic simulations by means of kinetic Monte Carlo method we study room temperature selforganization of 3d magnetic atoms (Fe, Co) on fcc (110) surfaces (Pd(110), Cu(110)) in the sub-monolayer regime. The energetics of various diffusion processes relevant for these systems is investigated based on first principles calculations. We reveal that surface-confined atomic intermixing plays a significant role in the formation of nanostructures. Our results lead to the conclusion that the deposited species (Fe, Co) are captured into the topmost surface layer, while the ad-layer structure consists mainly of the expelled substrate atoms (Pd, Cu). Our studies shed a light on recent experimental investigations on the metal-on-metal growth on fcc (110) surfaces.