Two-dimensional Hubbard-Holstein bipolaron

Details Two-dimensional Hubbard-Holstein bipolaron Two-dimensional Hubbard-Holstein bipolaron

2004-01-16

arxiv.org/abs/cond-mat/0401305v1

Phys. Rev. B 69, 245111 (2004)

Physics

Condensed Matter

Strongly Correlated Electrons

14 pages, 12 figures

Scientific paper

10.1103/PhysRevB.69.245111

We present a diagrammatic Monte Carlo study of the properties of the Hubbard-Holstein bipolaron on a two-dimensional square lattice. With a small Coulomb repulsion, U, and with increasing electron-phonon interaction, and when reaching a value about two times smaller than the one corresponding to the transition of light polaron to heavy polaron, the system suffers a sharp transition from a state formed by two weakly bound light polarons to a heavy, strongly bound on-site bipolaron. Aside from this rather conventional bipolaron a new bipolaron state is found for large U at intermediate and large electron-phonon coupling, corresponding to two polarons bound on nearest-neighbor sites. We discuss both the properties of the different bipolaron states and the transition from one state to another. We present a phase diagram in parameter space defined by the electron-phonon coupling and U. Our numerical method does not use any artificial approximation and can be easily modified to other bipolaron models with longer range electron-phonon and/or electron-electron interaction.

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