Binding energy of 1Bu singlet excitons in the one-dimensional extended Hubbard-Peierls model

Z. Shuai, Swapan K. Pati, W. P. Su, J. L. Brédas, and S. Ramasesha
Phys. Rev. B 55, 15368 – Published 15 June 1997
PDFExport Citation

Abstract

Using a symmetrized density-matrix renormalization-group formulation, we have investigated the electronic binding energy of the lowest optically allowed exciton (1Bu) within an extended Hubbard-Peierls model (with parameters U, V, and δ) for conjugated chains with N=80 sites. Three symmetries, the C2, spin parity, and electron-hole symmetries, have been applied to construct the projector operator. Analysis of our results on the ratios between exciton binding energies and exciton energies, sheds light on the current experimental and theoretical controversy on exciton binding for polyacetylene and polyparaphenylene vinylene. We show that in the absence of dimerization, the exciton binding energy is vanishingly small for U/t up to 5 and V/t up to 2.3; for a finite dimerization, it is only when V is large enough that the exciton gets to be significantly bound. This result questions the applicability to conjugated polymers of the strong correlation picture, in which the exciton binding energy is equal to V.

  • Received 23 July 1996

DOI:https://doi.org/10.1103/PhysRevB.55.15368

©1997 American Physical Society

Authors & Affiliations

Z. Shuai

  • Centre de Recherche en Electronique et Photonique Moléculaires, Service de Chimie des Matériaux Nouveaux,

Swapan K. Pati

  • Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560012, India

W. P. Su

  • Department of Physics and Texas Center for Superconductivity, University of Houston, Houston, Texas 77204

J. L. Brédas

  • Centre de Recherche en Electronique et Photonique Moléculaires, Service de Chimie des Matériaux Nouveaux,

S. Ramasesha

  • Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560012, India

References (Subscription Required)

Click to Expand
Issue

Vol. 55, Iss. 23 — 15 June 1997

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review B

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×