<italic>Ab initio</italic> calculations on oxygen vacancy defects in strained amorphous silica

Ab initio calculations on oxygen vacancy defects in strained amorphous silica

Zhou Bao-Hua^{1, †}, Zhang Fu-Jie¹, Liu Xiao¹, Song Yu^{2, 3}, Zuo Xu^{1, 4, ‡, ‡}

Strain-induced structural transition from (a) a positively charged dimer configuration to (b) an interim between the dimer configuration and the puckered configuration at 6% strain, and structural relaxation induced by electron recombination into (c) a neutral dimer configuration under 6% strain.