<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, ‡, ‡}

Evolution of the defect levels under strain: (a) the dimer configuration with the transition to a puckered 5× configuration at 7% strain, and (b) the dimer configuration with the transition to an interim between the dimer configuration and the puckered configuration at 6% strain.