Dynamics Simulation of Conducting Polymer Interchain Interaction Effects on Polaron Transition

Effects of interchain interaction on the polaron-bipolaron transition on conjugated polymer are investigated. We use the Su-Schrieffer-Heeger model combined with the Pariser-Parr-Pople model modified to include interchain interaction, and an external electric field. We study the dynamics within the Time-Dependent Unrestricted HartreeFock approximation. We find that removing an electron from interacting conducting polymer chains bearing a single positively charged polaron leads to the direct transition of polaron to bipolaron state. The transition which is produced is single-polaron to bipolaron transition whose excitation spectrum explains the experimental data. We also find that depending on how fast the electron is removed, a structure that contains a bipolaron coupled to a breather is created.