The atomic geometries and energies of various reconstructions of (10•0) and (11•0) surfaces in 2H-type material were studied by using density functional theory. It was found that the stoichiometric surfaces were semiconducting. However, the non-stoichiometric Si- and C-terminated reconstructions were stable over a wide range of growth conditions. Some of these low-energy surfaces exhibited a metallic-like character. They could therefore impair the electrical properties of the material if they occurred as internal surfaces in extended defects such as micro-pipes or dislocations.

Stoichiometric and Non-Stoichiometric (10¯10) and (11¯20) Surfaces in 2H-SiC - a Theoretical Study E.Rauls, J.Elsner, R.Gutierrez, T.Frauenheim: Solid State Communications, 1999, 111[8], 459-64