In order to study the electronic structures of the SiC/SiO2 interface, which was

formed by the oxidation of SiC, models were constructed for dangling-bond free

interfaces of 4H-SiC/SiO2 having substrate orientations of (00•1) and (11•0). Firstprinciples

calculations were carried out in order to find that a stretched oxygen

atom appeared in the near-interface region of the SiO2 insulator for the 4HSiC(

00•1)/SiO2 interface but not for the 4H-SiC(11•0)/SiO2 interface.

Ab Initio Theoretical Study of an Oxygen Vacancy Defect at the 4HSiC(

0001)/SiO2 Interface. E.Okuno, T.Sakakibara, S.Onda, M.Itoh, T.Uda:

Physical Review B, 2009, 79[11], 113302