<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), (d) positively charged unpuckered configurations to (b) a BP puckered 4× configuration under 1% strain or (e) a positively charged FO configuration under 4% strain, and structural relaxation induced by electron recombination into (c) neutral BP puckered 4× configuration or (f) a divalent silicon structure.