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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ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Condensed Matter Physics
  • Materials Chemistry

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