Adiabatic self-trapped states in carbon nanotubes

Abstract

We study here polaron (soliton) states of electrons or holes in a model describing carbon-type nanotubes. In the Hamiltonian of the system we take into account the electron-phonon interaction that arises from the deformation dependencies of both the on-site and the hopping interaction energies. Using an adiabatic approximation, we derive the equations for self-trapped electron states in zigzag nanotubes. We find the ground states of an electron in such a system and show that the polaron states can have different symmetries depending on the strength of the electron-phonon coupling. Namely, at relatively weak coupling the polarons possess quasi-one-dimensional (quasi-1D) properties and have an azimuthal symmetry. When the coupling constant exceeds some critical value, the azimuthal symmetry breaks down and the polaron spreads out in more than one dimension. We also study polarons that are formed by the electrons in the conducting band (or by holes in the valence band) in semiconducting carbon nanotubes. We show that their properties are more complex than those of quasi-1D ground state polarons. In particular, polarons in semiconducting carbon nanotubes possess an inner structure: being self-trapped along the nanotube axis they exhibit some modulations around the nanotube.