New Event-Scheduling Algorithm for Monte Carlo Simulation of Multi-Component Systems

摘要

High temperature annealing process of SiO_x mixture at equilibrium and non-equilibrium conditions has been studied. Proposed new event-scheduling algorithm takes into account different diffuse and chemical particle activities. Temperature dependence of SiO concentration in the mixture of Si and O atoms (with ratio 1:1) during annealing was determined using this new software. Parameters of chemical reactions (forming and decomposition of SiO molecule) have been evaluated from comparison of obtained monoxide concentration dependence with results of thermodynamic calculation. After annealing silicon we observed nanoclusters at temperatures below 1100°C and cavities over 1150°C in non-stoichiometric areas of SiO_x films. Simulation results are in agreement with experiments of annealing silicon dioxide layers after implanting excess silicon atoms.