<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, ‡, ‡}

Histograms of (a) Si–O bond length, (b) O–Si–O bond angle, and (c) Si–O–Si bond angle of the optimized 216-atom a-SiO₂ model.