Electric Conduction Due to an Acoustic Bipolaron in One-Dimensional Electron-Lattice System

Abstract

In order to estimate the mobility of an acoustic bipolaron in a typical non-degenerated polymer such as polydiacetylene (PDA), which can be regarded as a one-dimensional electron-lattice system, the dynamical behavior of an acoustic bipolaron in an external electric field is numerically investigated in the presence of a phenomenological damping of the lattice motion. In these simulations, we use the Su, Schrieffer and Heeger (SSH) Hamiltonian extended to include on-site and nearest-neighbor Coulomb repulsion terms, and the damping is introduced by adding a phenomenological friction term in the lattice equation of motion. The repulsive interactions are treated within the unrestricted time-dependent Hartree–Fock approximation. It is confirmed that the mobility of a bipolaron increases with the increase of the repulsion strength and that the relevant quantity determining the mobility of a bipolaron is its width as far as the phenomenological friction is kept fixed. The mobility of a bipolaron is compared wit...