We performed first-principles molecular dynamics calculation of the oxidation process in the SiO₂/4H-SiC C-face interface. The calculations have been performed by the Vienna ab initio simulation package (VASP) with plane waves, supercells, and the projector augment wave method. The slab model is used for the simulation. The molecular dynamics simulation is carried out at 1500K using the time step of 1 fs. The calculation was held on the Earth Simulator. The oxygen molecules are added one by one every 15 ps to the empty sphere in the SiO₂ layer near the interface in the simulation of the oxidation process. The oxygen molecules are dissociated in the SiO₂ layer or at C atoms of the interface. Dissociated O atoms oxidize not only at the C atoms of the interface but also at the Si atoms in the second atomic layer of the SiC region. It was found that bilayer oxidation occurres at the SiO₂/4H-SiC C-face interface.

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