Stable structure and optical properties of fused silica with NBOHC-<italic>E</italic>′ defect

Stable structure and optical properties of fused silica with NBOHC-E′ defect

Lu Peng-Fei^{1, 2, †,}, Wu Li-Yuan¹, Yang Yang¹, Wang Wei-Zheng¹, Zhang Chun-Fang³, Yang Chuang-Hua⁴, Su Rui³, Chen Jun⁵

Perfect 96-atom supercell model for fused silica. The NBOHC-E′ pair will be generated from the extracted portion. Si is shown in brown, and O is in yellow. All the calculations are based on the supercell model.