First-principles investigation of oxygen-excess defects in amorphous silica

Using ab initio calculations, we investigate the interactions among neutral excess oxygen atoms and amorphous silica (a-SiO2), along with hole trapping on neutral excess-oxygen defects. The calculations demonstrate that the interaction of excess oxygen with the a-SiO2 network results in two distinct...

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Bibliographic Details
Main Authors: Zehua Chen, Jian-wei Wang, Yu Song, Xu Zuo
Format: Article
Language:English
Published: AIP Publishing LLC 2017-10-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/1.4998280