Growth of amorphous selenium thin films: Classical versus quantum mechanical molecular dynamics simulation

J. Hegedüs, S. Kugler

Research output: Contribution to journalReview article

11 Citations (Scopus)

Abstract

We present the first molecular dynamics simulation of the vacuum deposition of amorphous selenium films. We compare the classical, tight-binding and Hubbard-term corrected tight-binding molecular dynamics simulation methods. Densities, coordination defects, radial distribution functions, bond angles, dihedral angles, intrachain and interchain atomic correlations were investigated in the obtained amorphous films. Local atomic arrangements were compared to results of diffraction measurements.

Original languageEnglish
Pages (from-to)6459-6468
Number of pages10
JournalJournal of Physics Condensed Matter
Volume17
Issue number41
DOIs
Publication statusPublished - Oct 19 2005

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

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