<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, ‡, ‡}

Calculated (a) histogram of Si–O bond length at different strains and (b) lattice parameters versus the applied strain. Black square, red circle and blue triangle represent lattice constants a, b, and c, respectively. The volume of the model is plotted against the strain in the inset of (b).