Monte Carlo simulation of the effect of silicon monoxide on silicon-nanocluster formation

Abstract

Silicon-nanocluster formation upon the annealing of SiOx (1 ≤ x < 2) layers is studied with the use of the lattice Monte Carlo model. The simulation is performed taking into account an additional mechanism of silicon transport due to the diffusion of silicon-monoxide (SiO) particles. It is demonstrated that the presence of SiO in the system leads to the growth of a critical silicon-nanocluster nucleus and can increase the nanocluster growth rate. Silicon-nanocluster formation upon the annealing of SiOx layers occurs only for the composition with x < 1.8. Upon the annealing of SiOx layers on a silicon substrate, a region depleted of silicon nanoclusters is observed in the layer adjacent to the substrate, which allows the formation of silicon nanoclusters in the SiO2 matrix at a certain distance from the Si/SiO2 interface.