Simulation of self-assembled nanopatterns in strained 2D alloys on the face centered cubic (111) surface

We investigate the formation of nanostructures in 2D strained alloys on face centered cubic (111) surfaces by means of equilibrium Monte Carlo simulations. In the framework of an off-lattice model, we consider one monolayer of two bulk-immiscible adsorbates A and B with negative and positive misfit relative to the substrate, respectively. Simulations show that the adsorbates partly self-organize into island or stripe-like patterns. We show how these structures depend on the relative misfits, interaction, and concentration of components. The morphology is quite different for phase separation and intermixing regimes.