Three-Dimensional Lattice Bipolaron

Details Three-Dimensional Lattice Bipolaron Three-Dimensional Lattice Bipolaron

2012-01-06

arxiv.org/abs/1201.1400v1

Physics

Condensed Matter

Strongly Correlated Electrons

9 pages

Scientific paper

We present analytical calculations and quantum Monte Carlo simulations describing the formation of bipolarons on a three-dimensional cubic lattice. A U-V model is derived from a two particle extended Hubbard--Holstein model with local and near-neighbor electron-phonon interaction, which we solve analytically for high phonon frequency. The extended model is simulated using a continuous-time quantum Monte Carlo code. We compute singlet bipolaron properties including total energy, number of associated phonons, inverse mass and average bipolaron size. We discuss the binding conditions needed to create polaron pairs and demonstrate the qualitative differences between two- and three- dimensional bipolarons.

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