Structure and generation mechanism of the peroxy-radical defect in amorphous silica.
We provide a new model of the peroxy-radical defect in amorphous silica on the basis of quantum-chemical calculations applied to clusters of atoms to model the defect. In this model, the 29Si hyperfine splittings of the peroxy radical arise from a single silicon, in agreement with the previous experimental findings. Furthermore, we show that the present model of the peroxy radical is consistent with the diffusion-limited anneal mechanism of the E'gamma center, although our model of the E'gamma center is different from the conventional charged oxygen vacancy model.
Uchino
T
T
Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011, Japan. uchino@scl.kyoto-u.ac.jp
Takahashi
M
M
Yoko
T
T