Correlated nucleation model for simulating nanocluster pattern formation on Si(111)7 × 7 surface

Abstract

We study the aggregation mechanisms of metal nanoclusters on the Si(111)7 × 7 reconstructed surface using a correlated nucleation model, in which the nucleation and growth behavior of a cluster (irreversible or partially reversible growth) depend on the local environment of the cluster. The kinetic Monte Carlo simulation of the model shows that with increasing temperature, the correlated nucleation effect causes a transition of growth behavior from asymmetric adatom aggregation between faulted and unfaulted half cells with a strong preference of occupation of faulted half cells, to compact cluster aggregation with a low occupation preference at high temperatures. As a result the preference as a function of the temperature exhibits a nonmonotonous behavior, with a maximum located at the temperature at which the transition of growth behavior has been observed. Both the simulated cluster morphologies and the quantitative analysis of the cluster distribution are in good agreement with the results observed from relevant growth experiments.