Defects inSiO2as the possible origin of near interface traps in theSiC∕SiO2system: A systematic theoretical study

J. M. Knaup, P. Deák, Th. Frauenheim, A. Gali, Z. Hajnal, W. J. Choyke
2005 Physical Review B  
A systematic study of the level positions of intrinsic and carbon defects in SiO 2 is presented, based on density functional calculations with a hybrid functional in an ␣-quartz supercell. The results are analyzed from the point of view of the near interface traps ͑NIT͒, observed in both SiC/ SiO 2 and Si/ SiO 2 systems, and assumed to have their origins in the oxide. It is shown that the vacancies and the oxygen interstitial can be excluded as the origin of such NIT, while the silicon
more » ... he silicon interstitial and carbon dimers give rise to gap levels in the energy range inferred from experiments. The properties of these defects are discussed in light of the knowledge about the SiC/ SiO 2 interface.
doi:10.1103/physrevb.72.115323 fatcat:ez5pdym76rfuvjbivet6vszd4q