Passivation of carbon dimer defects in amorphous SiO<sub>2</sub>/4H–SiC (0001) interface: A first-principles study

Passivation of carbon dimer defects in amorphous SiO₂/4H–SiC (0001) interface: A first-principles study

Zhang Yi-Jie¹, Yin Zhi-Peng¹, Su Yan², Wang De-Jun^{1, †}

(color online) Partial charge density diagrams of the intermediate structure in the band gap of SiO₂/4H–SiC after incomplete passivation by NO, showing intermediate structures of (a) C–C + NO, (b) C–C + 2NO, (c) ( C – C ) ′ + NO–I, and (d) ( C – C ) ′ + NO–II. The isosurface value is set to be 0.12 e/Bohr³.