Small polaron formation in the Holstein and Su-Schrieffer-Heeger models: The criteria from analytic and numerical analyses

Abstract

We investigate the conditions leading to polaron formation for a single electron interacting with dispersionless optical phonons within the Holstein and the Su-Schrieffer-Heeger models. Both from analytic perturbation theory and exact numerical diagonalization of small clusters, we find different criteria for the model parameters ruling the setting in of the polaronic regime. We also illustrate the common physical origin of polarons in the two models as arising from the simultaneous fulfilling of two conditions: A sizable ionic displacement and a lattice deformation energy gain larger that the loss in the bare electron kinetic energy.