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

Partial and differential charge density calculations for the NBOHC-E′ structure. Panel (a) shows the partial charge density for the defect states in the Si1–O1–Si2 plane, panel (b) represents the differential charge density of the NBOHC-E′ structure, panel (c) displays the differential charge density of the plane centered on Si1 with E′, and panel (d) exhibits the optimized fused silica model with the NBOHC-E′ pair defect.