ABSTRACTIn grain boundaries in compound semiconductors such as SiC, the interface stoichiometry and the wrong bonds between like atoms are of much importance. Firstly, a general definition of the interface stoichiometry in such grain boundaries has been discussed. Secondly, the atomic and electronic structures of the {211} Σ=3 boundary in SiC have been examined by using the self-consistent tight-binding method, based on the atomic models with bonding networks similar to those in the models of the same boundary in Si or Ge. The wrong bonds have significant effects through the large electrostatic repulsion and the generation of localized states as well as those in the {122} Σ=9 boundary in SiC. And the different bond lengths of the wrong bonds very much affect the local bond distortions at the interfaces, which determines the relative stability among the present models.
