Ab initio study of the migration of intrinsic defects in 3 CSiC

@inproceedings{Bockstedte2003AbIS,
  title={Ab initio study of the migration of intrinsic defects in 3 CSiC},
  author={Michel Bockstedte and Alexander Mattausch and Oleg Pankratov},
  year={2003}
}
The diffusion of intrinsic defects in 3 C-SiC is studied using an ab initio method based on density functional theory. The vacancies are shown to migrate on their own sublattice. The carbon split-interstitials and the two relevant silicon interstitials, namely the tetrahedrally carbon-coordinated interstitial and the ^110&-oriented split interstitial, are found to be by far more mobile than the vacancies. The metastability of the silicon vacancy, which transforms into a vacancy-antisite complex… CONTINUE READING