Modeling epitaxial growth of binary alloy nanostructures on a weakly interacting substrate

Stochastic growth of binary alloys on a weakly interacting substrate is studied by kinetic Monte Carlo simulation. The underlying lattice model relates to fcc alloys, and the kinetics are based on deposition, atomic migration with bond-breaking processes, and exchange processes mediated by nearest neighbor hopping steps. We investigate the interrelation between surface processes and the emerging nonequilibrium structure at and below the growing surface under conditions where atoms in the bulk can be regarded as immobile. The parameters of the model are adapted to ${\mathrm{CoPt}}_{3}$ alloys. Growing nanoclusters exhibit an anisotropic short range order, primarily caused by Pt segregation at the surface. The overall structural anisotropy depends on both Pt surface segregation and cluster shape, and can explain the perpendicular magnetic anisotropy (PMA) recently measured in ${\mathrm{CoPt}}_{3}$ nanoclusters on a van der Waals substrate. The onset of $L{1}_{2}$ ordering in the cluster is induced by surface processes. The same kinetic model is applied also to continuous thin films, which in addition can exhibit a small bulk contribution to PMA.