Charge distribution in amorphous silicon clusters. Quantum chemical study combined with ring statistics

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Abstract

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.

Original languageEnglish
Pages (from-to)503-506
Number of pages4
JournalJournal of Non-Crystalline Solids
Volume97-98
Issue numberPART 1
DOIs
Publication statusPublished - Dec 2 1987

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Charge distribution
Amorphous silicon
charge distribution
amorphous silicon
Statistics
statistics
rings
shoulders
Atoms
atoms

ASJC Scopus subject areas

  • Ceramics and Composites
  • Electronic, Optical and Magnetic Materials

Cite this

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title = "Charge distribution in amorphous silicon clusters. Quantum chemical study combined with ring statistics",
abstract = "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.",
author = "S. Kugler and G. N{\'a}ray-Szab{\'o}",
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