Near-Interface Defect Decomposition during NO Annealing Analyzed by Molecular Dynamics Simulations

We have used molecular dynamics simulations to investigate the decomposition mechanisms of residual C defects near the interface of 4H-SiC/SiO 2 during NO annealing. We have observed drastically rapid defect decomposition by NO and O 2 mixed gas, which is thermodynamically more realistic, compared with single NO or O 2 gas annealing. We have constructed simplified defect decomposition model. This model numerically reproduced the simulation results, suggesting that multi-step and cooperative reactions caused by the coexistence of NO and O 2 during NO annealing effectively promote the decomposition of residual C defects.