Polaronic optical absorption of the Holstein and Su-Schrieffer-Heeger models

Abstract

The optical conductivity of a polaronic charge carrier in the intermediate and strong-coupling regimes is calculated for a tight-binding electron using exact diagonalization. Two different simple models of the electron-phonon coupling are considered: the Holstein model, with coupling of the lattice displacement to the local electron density, and the Su-Schrieffer-Heeger type of coupling arising from modulation of the electronic overlap integral. The two models are shown to exhibit a similar polaronic absorption band. However, the Su-Schrieefer-Heeger form of coupling gives rise to a second strong absorption band not present in the Holstein model. This additional feature corresponds to transitions from the ground state of bonding character on a shortened bond to excited states of anti-bonding character on the same shortened bond.