A kinetic lattice Monte Carlo model was developed to investigate the recovery and clustering of defects during annealing of a single 10keV cascade in cubic silicon carbide. The 10keV Si cascade was produced by molecular dynamics, and a method of transferring the defects created by molecular dynamics simulations to the kinetic lattice Monte Carlo model was developed. The kinetic lattice Monte Carlo model parameters were obtained from molecular dynamics simulations and ab initio calculations of defect migration, recombination, and annihilation. The defects were annealed isothermally from 100 to 1000K in the kinetic lattice Monte Carlo model.
Two distinct recovery stages for close Frenkel pairs were observed at about 200 and 550K, and the growth of complex clusters was observed above 400K. These simulation results were in good agreement with available experimental results.
Monte Carlo Simulations of Defect Recovery within a 10keV Collision Cascade in 3C–SiC. Z.Rong, F.Gao, W.J.Weber, G.Hobler: Journal of Applied Physics, 2007, 102[10], 103508