Eur. Phys. J. B 11, 41-58 (1999)
https://doi.org/10.1007/s100510050915

Small bipolarons in the 2-dimensional Holstein-Hubbard model. I. The adiabatic limit

Laboratoire Léon Brillouin (CEA-CNRS), CEA Saclay 91191-Gif-sur-Yvette Cedex, France

Corresponding author: ^a aubry@llb.saclay.cea.fr

Received: 10 December 1998
Published online: 15 September 1999

Abstract

The spatially localized bound states of two electrons in the adiabatic two-dimensional Holstein-Hubbard model on a square lattice are investigated both numerically and analytically. The interplay between the electron-phonon coupling g, which tends to form bipolarons and the repulsive Hubbard interaction , which tends to break them, generates many different ground-states. There are four domains in the phase diagram delimited by first order transition lines. Except for the domain at weak electron-phonon coupling (small g) where the electrons remain free, the electrons form bipolarons which can 1) be mostly located on a single site (small υ, large g); 2) be an anisotropic pair of polarons lying on two neighboring sites in the magnetic singlet state (large υ, large g); or 3) be a "quadrisinglet state" which is the superposition of 4 electronic singlets with a common central site. This quadrisinglet bipolaron is the most stable in a small central domain in between the three other phases. The pinning modes and the Peierls-Nabarro barrier of each of these bipolarons are calculated and the barrier is found to be strongly depressed in the region of stability of the quadrisinglet bipolaron.