Stable structure and optical properties of fused silica with NBOHC- |
PDOSs of fused silica. (a) p-orbital of O1 (black) and Si1 (green) in the defect model compared with O1 (red) and Si1 (light blue) in the perfect supercell. (b) p-orbital of O2 (pink), O4 (black), and Si2 (blue) in the defect model. |