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We report first-principles calculations that reveal the atomic forms,stability, and energy levels of carbon-related defects in SiC (0001)/SiO$_{\rm2}$ systems. We clarify the stable position (SiC side, SiO$_{\rm 2}$ side, orjust at the SiC/SiO$_{\rm 2}$ interface) of defects depending on the oxidationenvironment. Under an O-rich condition, the di-carbon antisite ((C$_{\rm2}$)$_{\rm Si}$) in the SiC side is stable and critical for $n$-channelMOSFETs, whereas the di-carbon defect (Si-C-C-Si) at the interface becomescritical under an O-poor condition. Our results suggest that the oxidation ofSiC under a high-temperature O-poor condition is favorable in reducing thedefects, in consistent with recent experimental reports.

journal of applied physics

Structure and energetics of carbon-related defects in SiC  (0001)/SiO$_{\rm 2}$ systems revealed by first-principles calculations:  Defects in SiC, SiO$_{\rm 2}$, and just at their interface