<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, ‡, ‡}

Thermodynamic charge-state transition levels of (a) three unpuckered configurations (blue short lines) and (b) five dimer configurations (black and red short lines) at 0%, 3%, and 7% strains. The red line in (b) identifies the dimer configuration with the relaxation channel influenced by strain.