Volume 79, Number 1, July 2007
|Number of page(s)||5|
|Section||Condensed Matter: Electronic Structure, Electrical, Magnetic and Optical Properties|
|Published online||06 June 2007|
Effects of e-e interactions on the dynamics of polarons in conjugated polymers
College of Physics, Hebei Normal University - Shijiazhuang 050016, China
2 Department of Physics, Fudan University - Shanghai 200433, China
Corresponding author: firstname.lastname@example.org
Accepted: 17 May 2007
Combining the one-dimensional tight-binding Su-Schrieffer-Heeger (SSH) model and the extended Hubbard model (EHM), we investigate the effect of electron-electron interactions on the dynamics of a charged polaron in a conjugated polymer chain, by using a nonadiabatic dynamical method. Both the localization and the velocity of the polaron will vary with the on-site Coulomb interactions U and the nearest-neighbor interactions V. It is found that the local extremum of the stationary velocity of the polaron occurs at U ≈ 2V (). Additionally, the relation between the velocity and the lattice structure of the polaron is shown qualitatively.
PACS: 71.38.Ht – Self-trapped or small polarons / 71.20.Rv – Polymers and organic compounds / 71.15.Pd – Molecular dynamics calculations (Car-Parrinello) and other numerical simulations
© Europhysics Letters Association, 2007
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