Reverse Monte Carlo approach to the structure of amorphous semiconductors

László Pusztai, Orsolya Gereben

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

It is shown that the use of reverse Monte Carlo simulation provides valuable contributions along the entire route from the experimental structure factor to three-dimensional structural models. In particular, the estimation of the microscopic number density and the evaluation of the pair correlation function is described for some elemental amorphous semiconductors. The importance of generating different atomic models of these materials using geometrical constraints is also emphasized.

Original languageEnglish
Pages (from-to)640-643
Number of pages4
JournalJournal of Non-Crystalline Solids
Volume192-193
DOIs
Publication statusPublished - Jan 1 1995

ASJC Scopus subject areas

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

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