Monte Carlo Simulation of SiOx Layers Annealing

Monte Carlo model of SiO_x layers annealing and growth was developed. Model layers of stoichiometric SiO₂ with initially randomly distributed components on partially filled diamond-like lattice tends to SiO₄ tetrahedron formation during high-temperature annealing. Chains of tetrahedrons are found to be connected by oxygen atom. Portion of properly coordinated atoms was up to 70%. Presence of excess silicon in SiO_x layers results in increasing of the portion of properly coordinated oxygen atoms (up to 95%). Starting from 17% of excess silicon nc-Si were created in annealed layer. MC simulation of initial stages of SiO₂ growth during dry oxidation of atomically clean Si(111) surface was carried out taking into consideration silicon monoxide formation and decomposition.