Nonlinear excitations in conjugated polymers: Characterization of ring torsional solitons in leucoemeraldine

D. A. Dos Santos, J. L. Brédas

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

The formation of solitons involving a kink in the ring-torsion alternation pattern of leucoemeraldine base is discussed on the basis of quantum-chemical calculations. We obtain that these solitons present a modified functional tanh-like evolution which is markedly different from that in bond-length solitons and is a result of a compromise between steric interaction and conjugation effects. The ring-torsional solitons optimally extend over about three rings. They do not cause the appearance of electronic states within the band gap but contribute to widen it. The continuum-limit model previously used to describe them is found to be inadequate.

Original languageEnglish (US)
Pages (from-to)13113-13116
Number of pages4
JournalPhysical Review B
Volume45
Issue number22
DOIs
StatePublished - 1992
Externally publishedYes

ASJC Scopus subject areas

  • Condensed Matter Physics

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