First-principles modeling of defect-free abrupt SiC/SiO₂ interfaces on a- and m-face 4H-SiC

While the a- and m-faces of 4H-SiC have attracted increasing interest for SiC metal–oxide–semiconductor device applications, the electronic and/or geometric structures of their SiC/SiO2 interfaces are still unknown. We constructed model structures of defect-free abrupt SiC/SiO2 interfaces. Even with C–O bonds at the interface and/or an uneven interfacial boundary, their electronic properties show only slight difference from those of the Si-face...