SSH-Hamiltonian description of the electronic structure and vibrational properties of polyparaphenylene vinylene

Z. Shuai*, D. Beljonne, J. L. Brédas

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

24 Scopus citations

Abstract

We present the parameterization of a Su-Schrieffer-Heeger (i.e., Hückel plus sigma compressibility) Hamiltonian to describe the molecular geometry and the electronic structure of undoped and doped polyparaphenylene vinylene, one of the currently most studied conjugated polymers. We then apply a perturbation technique to obtain a qualitative insight into the vibrational structure of the electron-lattice coupled system. Analysis is focused on the localized modes appearing around the bipolaron defects.

Original languageEnglish (US)
Pages (from-to)477-480
Number of pages4
JournalSolid State Communications
Volume78
Issue number6
DOIs
StatePublished - 1991
Externally publishedYes

ASJC Scopus subject areas

  • Chemistry(all)
  • Condensed Matter Physics
  • Materials Chemistry

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