A theoretical investigation was made of extended planar defects in 3C-, 4H-, 6H- and 15R-SiC which could be formed without breaking any bonds, covering a wide range of planar defects: twin boundaries, stacking faults, and polytype inclusions. Their electronic structures were intensively studied by using an ab initio super-cell approach based upon density functional theory. Stacking fault energies were also calculated by using the super-cell method and the axial next-nearest neighbour Ising model. The electronic properties and energies of these defects were analyzed in terms of geometrical differences in the stacking patterns.

Theoretical Study of Planar Defects in Silicon Carbide. H.Iwata, U.Lindefelt, S.Öberg, P.R.Briddon: Journal of Physics - Condensed Matter, 2002, 24[48], 12733-40