Interchain interactions in one-dimensional periodic systems: An analysis of second-order effects causing deformation

Kazunari Yoshizawa, Roald Hoffmann

Research output: Contribution to journalArticle

15 Citations (Scopus)

Abstract

The role of second-order perturbations in interchain interactions of one-dimensional electronic systems is examined. The general features of such interchain interactions are deduced from a simple two-chain model. From a perturbation-theoretic analysis, the second-order term originating from two different bands near the Fermi level leads to an important out-of-phase coupling of charge-density-waves on neighboring chains. The preferred distortion is predicted for various electron counts, using a transition-density analysis. Specific geometrical conclusions are derived for polyacene systems.

Original languageEnglish
Pages (from-to)2126-2131
Number of pages6
JournalThe Journal of Chemical Physics
Volume103
Issue number6
DOIs
Publication statusPublished - Jan 1 1995
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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