Polaronic excitations in the doped polyacene

Abstract

The polyacene as two coupled chains of transpolyacetylene has been studied based on an extended SSHHubbard model. The dimerized displacement u ₀ is found to be similar to the case of trans-polyacetylene, and equals to 0.04 Å. The energy-band gap is 0.38 eV, in agreement with other authors. In particular, we have considered some cases where polyacene is doped with one and two donor electrons. In the case of doping with one electron, a polaron spreading over two chains has been found; in the case of doping with two electrons having different spins, a stable bipolaron has been obtained, which is different from the one of transpolyacetylene; in the case of doping with two electrons having the same spins, two stable polarons which spread over two chains have been found. The bound electronic states corresponding to these cases are obtained.