Density of electronic states in periodic and disordered chains of segmented polyacetylene

G. Hennico*, J. Delhalle, J. M. André, Jean-Luc Bredas

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

6 Scopus citations

Abstract

The density of valence one-electron states (DOVS) for different regular (periodic) and irregular models of segmented polyacetylene chains is computed with the Negative Factor Counting technique. To help in the interpretation of the evolution of the DOVS curves with the type of distribution in sp3 defects, a comparison of the results is made with VEH calculations on regular infinite chains. A discussion on the interruption of conjugation introduced in polyacetylene by the sp3 defects follows.

Original languageEnglish (US)
Pages (from-to)9-22
Number of pages14
JournalSynthetic Metals
Volume31
Issue number1
DOIs
StatePublished - Jan 1 1989

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

Fingerprint Dive into the research topics of 'Density of electronic states in periodic and disordered chains of segmented polyacetylene'. Together they form a unique fingerprint.

Cite this