Theoretical investigation of vacancy related defects at 4H-SiC(000-1)/SiO₂ interface after wet oxidation

Abstract The stability and formation mechanism of the defects relevant to silicon carbon vacancies at 4H-SiC(000-1)/SiO 2 interface after wet oxidation are investigated by first-principles calculation based on density functional theory. difference in total energy agrees with experimental results concerning dencity defects. We found that characteristic behaviors generation explained steric barrier SiC(000-1) substrate is attributed termination dangling bonds H atoms introduced oxidation, resulting carbon-antisite--carbon-vacancy divacancies oxidation.