Published online by Cambridge University Press: 25 February 2011
Most compound semiconductors crystallize in the zincblende or the wurtzite structures. In both cases, all the host atoms are tetrahedrally coordinated. However, the two lattices have no high symmetry interstitial sites in common. As a result, the stability, lowest-energy configuration, electronic structures, and barriers for diffusion of interstitial impurities are in general very different. This situation is illustrated here in the case of interstitial H in 3C (zincblende) and 2H (wurtzite) SiC. The results can be used to obtain the properties of H in other hexagonal polytypes, in particular 6H-SiC.