Structure and generation mechanism of the peroxy-radical defect in amorphous silica

被引：29

作者：

Uchino, T ^{[1
]}

Takahashi, M ^{[1
]}

Yoko, T ^{[1
]}

机构：

[1] Kyoto Univ, Inst Chem Res, Kyoto 6110011, Japan

来源：

PHYSICAL REVIEW LETTERS | 2001年 / 86卷 / 20期

关键词：

D O I：

10.1103/PhysRevLett.86.4560

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

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 Si-29 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.

引用

页码：4560 / 4563

页数：4

共 20 条

[1]

[Anonymous], 1990, Glass Science and Technology, DOI DOI 10.1016/B978-0-12-706707-0.50010-4

[2] CORRELATION-ENERGY OF AN INHOMOGENEOUS ELECTRON-GAS - A COORDINATE-SPACE MODEL [J].