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Same Charge Polaron and Bipolaron Scattering on Conducting Polymers
Maurício Bellissimo Falleiros1,2, Geraldo Magela E Silva1
1Institute of Physics , University of Brasília , Brasília 70.919-970 , Brazil.
The Journal of Physical Chemistry. A
|January 31, 2019
Summary
We investigated polaron and bipolaron scattering in polymers. Findings reveal transmission occurs at specific velocity ratios, suggesting potential for abrupt charge transport increases under electric fields.
Area of Science:
- Condensed Matter Physics
- Materials Science
- Polymer Physics
Background:
- Polarons and bipolarons are key charge carriers in conducting polymers.
- Understanding their scattering dynamics is crucial for electronic applications.
- Previous models often simplified electron-electron interactions.
Purpose of the Study:
- To investigate the scattering dynamics of polarons and bipolarons in cis-polyacetylene and polyparaphenylene.
- To determine the conditions for polaron transmission through a bipolaron.
- To calculate the effective masses of polarons and bipolarons.
Main Methods:
- Utilized the Su-Schrieffer-Heeger model with Hubbard extensions.
- Employed the time-dependent Hartree-Fock approximation.
- Simulations performed on a hexagonal lattice structure.
Main Results:
- Elastic scattering is the predominant outcome.
- Polaron transmission through a bipolaron occurs at velocity ratios of 3:1 to 5:1 (no field) and 6:1 to 8:1 (with field).
- Polaron effective mass is 4-8 times electron mass; bipolaron effective mass is 15-30 times electron mass.
Conclusions:
- Polaron-bipolaron interactions can lead to non-linear charge transport.
- Specific velocity ratios and electric fields can induce abrupt changes in conductivity.
- The determined effective masses provide insights into charge carrier behavior in these polymers.
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