A study was made of the atomic geometries and energetics of various reconstructions, at the (10•0) and (11•0) surfaces of 2H-type samples, by using density functional theory. It was found that the stoichiometric surfaces were semiconducting. The non-stoichiometric Si- and C-terminated reconstructions were found to be stable over a wide range of growth conditions. Some of these low-energy surfaces exhibited metallic-like characteristics. They could therefore negatively affect 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