Dynamics of oppositely charged carriers in a metal/coupled poly(p-phenylene vinylene) chains/metal structure

By using the extended version of the Su-Schrieffer-Heeger (SSH) tight-binding model and a non-adiabatic dynamic evolution method, we present a study of the dynamic process of oppositely charged carriers in a metal/two coupled poly(p-phenylene vinylene) chains/metal structure. Electrons and holes can be injected into the polymer chains from metal electrodes by applying voltage biases. The behavior of the injected charged carriers depends closely on the electric field and the interchain coupling. The moderate intensity of electric field is in favor of forming stable wave packets, and the charge carriers localized in wave packets occur to transport, hopping, collide and recombine. With increasing the electric field, part of the carriers can be ejected into the metal electrodes.