Papers by Keyword: Ab Initio Hyperfine Signature

Abstract: The existence of point defects is one of the key problems in SiC technology. Combined experimental and theoretical investigations can be successful in identification of point defects. We report the identification of a basic intrinsic defect in p-type SiC. In addition, we predict the existence of interstitial-related electrically active defects which may be detected by experimental tools.

Abstract: The negative carbon vacancy antisite complex is analysed by ab initio theory in view of the SI5 EPR-center. The complex occurs in a Jahn-Teller distorted ground state and a meta stable state. This and the calculated hyperfine structure agree nicely with the temperature dependent EPR spectra of SI5. An interpretation of the photo-EPR experiments is proposed.

Abstract: Only recently the well-resolved hyperfine structure of the P6/P7 EPR center has been experimentally observed. Based on the calculated hyperfine tensors we assign the P6/P7 center to the high spin state neutral divacancy, which is the ground state in agreement with the experiment. We propose a mechanism to explain the loss of divacancy signal at high tem- perature annealing in semi-insulating SiC samples. We discuss the possible correlation between the divacancy and some photoluminescence centers.