Quantum-confinement effects on the ordering of the lowest-lying excited states in conjugated chains

Z. Shuai, Jean-Luc Bredas, S. Pati, S. Ramasesha

Research output: Contribution to journalArticlepeer-review

35 Scopus citations

Abstract

The symmetrized density-matrix renormalization-group approach is applied within the extended Hubbard-Peierls model (with parameters (Formula presented) and bond alternation δ) to study the ordering of the lowest one-photon (Formula presented) and two-photon (Formula presented) states in one-dimensional conjugated systems with chain lengths (Formula presented) up to (Formula presented) sites. Three different types of crossovers are studied, as a function of (Formula presented) δ, and (Formula presented) The “(Formula presented) crossover” emphasizes the larger ionic character of the (Formula presented) state compared to the lowest triplet excitation. The “δ crossover” shows strong dependence on both (Formula presented) and (Formula presented) the “(Formula presented) crossover” illustrates the more localized nature of the (Formula presented) excitation relative to the (Formula presented) excitation at intermediate correlation strengths.

Original languageEnglish (US)
Pages (from-to)9298-9301
Number of pages4
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume56
Issue number15
DOIs
StatePublished - Jan 1 1997

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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