Volume 100, Number 5, December 2012
|Number of page(s)||6|
|Section||Condensed Matter: Electronic Structure, Electrical, Magnetic and Optical Properties|
|Published online||18 December 2012|
Correlation effects on the scattering of soliton pairs in conjugated polymers
1 Key Laboratory for Advanced Microstructure Materials of the Ministry of Education and Department of Physics, Tongji University - Shanghai 200092, China
2 Department of Physics, Shaoxing University - Shaoxing 312000, China
3 College of Physics, Hebei Normal University - Shijiazhuang 050016, China
4 Department of Physics and Surface Physics Laboratory, Fudan University - Shanghai 200433, China
Received: 17 September 2012
Accepted: 20 November 2012
By employing an adaptive time-dependent density matrix renormalization group (t-DMRG) method, we investigate the electron-electron correlation effects on the inelastic-scattering processes of oppositely charged-soliton anti-soliton pairs in conjugated polymers under the influence of an external electric field. The simulations are performed based on the Su-Schrieffer-Heeger (SSH) model modified to include electron-electron interactions and an external electric field. The percent yield of product is numerically calculated by a projection method. Our results show that the on-site Coulomb interaction is of fundamental importance and favors the recombination between the pairs of soliton. Additionally, the effects of external electric field and nearest-neighbor electron-electron interaction on the collision processes are also discussed.
PACS: 72.80.Le – Polymers; organic compounds (including organic semiconductors) / 71.15.Pd – Molecular dynamics calculations (Car-Parrinello) and other numerical simulations / 71.27.+a – Strongly correlated electron systems; heavy fermions
© EPLA, 2012
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