We applied a previously developed quantum chemical method to determine atomic charge distribution in the continuous random network model of amorphous silicon by Wooten and coworkers. A linear relation between bond angle distortions and net atomic charges has been found. The charge distribution displays maxima or shoulders and the location of these can be related to the number of fivefold rings containing the same atom.
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Ceramics and Composites
- Condensed Matter Physics
- Materials Chemistry