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Title: Impurity effects on polaron-exciton formation in conjugated polymers

Abstract

Combining the one-dimensional tight-binding Su-Schrieffer-Heeger model and the extended Hubbard model, the collision of two oppositely charged polarons is investigated under the influence of impurity effects using a non-adiabatic evolution method. Results show that electron-electron interactions have direct influence on the charge distribution coupled to the polaron-exciton lattice defect. Additionally, the presence of an impurity in the collisional process reduces the critical electric field for the polaron-exciton formation. In the small electric field regime, the impurity effects open three channels and are of fundamental importance to favor the polaron-exciton creation. The results indicate that the scattering between polarons in the presence of impurities can throw a new light on the description of electroluminescence in conjugated polymer systems.

Authors:
; ; ;  [1]
  1. Institute of Physics, University of Brasilia, 70.919-970 Brasilia (Brazil)
Publication Date:
OSTI Identifier:
22251548
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 139; Journal Issue: 17; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-9606
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; CHARGE DISTRIBUTION; CRYSTAL DEFECTS; ELECTRIC FIELDS; ELECTROLUMINESCENCE; ELECTRON-ELECTRON COLLISIONS; ELECTRON-ELECTRON COUPLING; ELECTRON-ELECTRON INTERACTIONS; HUBBARD MODEL; IMPURITIES; POLARONS; POLYMERS; SCATTERING

Citation Formats

Ribeiro, Luiz Antonio, E-mail: ribeirojr@fis.unb.br, Ferreira da Cunha, Wiliam, Neto de Oliveira, Pedro Henrique, Gargano, Ricardo, and Magela e Silva, Geraldo. Impurity effects on polaron-exciton formation in conjugated polymers. United States: N. p., 2013. Web. doi:10.1063/1.4828726.
Ribeiro, Luiz Antonio, E-mail: ribeirojr@fis.unb.br, Ferreira da Cunha, Wiliam, Neto de Oliveira, Pedro Henrique, Gargano, Ricardo, & Magela e Silva, Geraldo. Impurity effects on polaron-exciton formation in conjugated polymers. United States. https://doi.org/10.1063/1.4828726
Ribeiro, Luiz Antonio, E-mail: ribeirojr@fis.unb.br, Ferreira da Cunha, Wiliam, Neto de Oliveira, Pedro Henrique, Gargano, Ricardo, and Magela e Silva, Geraldo. 2013. "Impurity effects on polaron-exciton formation in conjugated polymers". United States. https://doi.org/10.1063/1.4828726.
@article{osti_22251548,
title = {Impurity effects on polaron-exciton formation in conjugated polymers},
author = {Ribeiro, Luiz Antonio, E-mail: ribeirojr@fis.unb.br and Ferreira da Cunha, Wiliam and Neto de Oliveira, Pedro Henrique and Gargano, Ricardo and Magela e Silva, Geraldo},
abstractNote = {Combining the one-dimensional tight-binding Su-Schrieffer-Heeger model and the extended Hubbard model, the collision of two oppositely charged polarons is investigated under the influence of impurity effects using a non-adiabatic evolution method. Results show that electron-electron interactions have direct influence on the charge distribution coupled to the polaron-exciton lattice defect. Additionally, the presence of an impurity in the collisional process reduces the critical electric field for the polaron-exciton formation. In the small electric field regime, the impurity effects open three channels and are of fundamental importance to favor the polaron-exciton creation. The results indicate that the scattering between polarons in the presence of impurities can throw a new light on the description of electroluminescence in conjugated polymer systems.},
doi = {10.1063/1.4828726},
url = {https://www.osti.gov/biblio/22251548}, journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = 17,
volume = 139,
place = {United States},
year = {2013},
month = {11}
}