DMRG studies of the 1B exciton binding energy and 1B/2A crossover in an extended Hubbard-Peierls model

Z. Shuai*, S. K. Pati, J. L. Brédas, S. Ramasesha

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

10 Scopus citations

Abstract

Using a symmetrized density matrix renormalization group formulation, we have investigated the electronic binding energy (Eb) of the lowest optically allowed exciton (1B) and the crossover behavior of the 1B/2A states within an extended Hubbard-Peierls model (with parameters U, V, and δ) for conjugated polymer chains with N=80. The Eb value is found to be around 0.1 eV for polyacetylene and 0.22-0.45 eV for PPV when considering a realistic range of parameters. The 1B/2A crossover behavior is investigated for a wide range of parameters.

Original languageEnglish (US)
Pages (from-to)1011-1014
Number of pages4
JournalSynthetic Metals
Volume85
Issue number1-3
DOIs
StatePublished - Mar 15 1997

Keywords

  • Many-body and quasiparticle theories

ASJC Scopus subject areas

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

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