Polarons and bipolarons in polypyrrole: Evolution of the band structure and optical spectrum upon doing

J. L. Brédas, J. C. Scott, K. Yakushi, and G. B. Street
Phys. Rev. B 30, 1023 – Published 15 July 1984
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Abstract

We present the results of tight-binding band-structure calculations on a deformable polypyrrole chain, as a function of doping. The states which are produced are polarons and bipolarons whose excitation spectrum explains the optical-absorption data.

  • Received 21 February 1984

DOI:https://doi.org/10.1103/PhysRevB.30.1023

©1984 American Physical Society

Authors & Affiliations

J. L. Brédas*, J. C. Scott, K. Yakushi, and G. B. Street

  • IBM Research Laboratory, San Jose, California 95193

  • *Permanent address: Laboratoire de Chimie Théorique Appliquée, Facultés Universitaires Notre-Dame de la Paix, Université de Namur, B-5000 Namur, Belgium
  • Permanent address: Department of Chemistry, The University of Tokyo, Bunkyo-ku, Tokyo 115, Japan

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Issue

Vol. 30, Iss. 2 — 15 July 1984

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