Dynamical study on polaron formation in a metal/polymer/metal structure

By considering a metal/polymer/metal structure within a tight-binding one-dimensional model, we have investigated the polaron formation in the presence of an electric field. When a sufficient voltage bias is applied to one of the metal electrodes, an electron is injected into the polymer chain, and then a self-trapped polaron is formed at a few hundreds of femtoseconds while it moves slowly under a weak electric field (not larger than $1.0\ifmmode\times\else\texttimes\fi{}{10}^{4}\mathrm{V}/\mathrm{c}\mathrm{m}).$ At an electric field between $1.0\ifmmode\times\else\texttimes\fi{}{10}^{4}\mathrm{V}/\mathrm{c}\mathrm{m}$ and $8.0\ifmmode\times\else\texttimes\fi{}{10}^{4}\mathrm{V}/\mathrm{c}\mathrm{m},$ the polaron is still formed, since the injected electron is bounded between the interface barriers for quite a long time. It is shown that the electric field applied at the polymer chain reduces effectively the potential barrier in the metal/polymer interface.