First-principles calculations that clarify energetics and reactions of oxygen adsorption and carbon desorption on 4H-SiC ($11\bar{2}0$) surface

Han Li, Yu-ichiro Matsushita, Mauro Boero +1

We report static and dynamic first-principles calculations that provide atomistic pictures of the initial stage of the oxidation processes occurring at the ($11\bar{2}0$) surface of…