Dynamics of polarons and bipolarons with interchain coupling in conjugated polymers

摘要

The interchain and interactions of two parallel chains are studied numerically through the dynamics of charged polaron and bipolaron in the presence of an electric field by using the Pariser-Parr-Pople model combined with the Su-Schrieffer-Heeger model. The electron-lattice coupling and the Brazovskii-Kirova-type symmetry-breaking interaction are introduced in the current model. The electric field is introduced in terms of a time-dependent vector potential that is included in the Hamiltonian through a Peierls substitution of the phase factor to the transfer integral. The charge-transfer probability between charged polarons and bipolarons belonging to neighboring chains is determined by the numerical resolution of the equations of motion within the unrestricted Hartree-Fock approximation. The effects of confinement on the polaron and bipolaron motion are determined. (C) 2003 Wiley Periodicals, Inc. [References: 22]