Mobile small bipolarons on a three-dimensional cubic lattice

Davenport, A. R.; Hague, J. P. and Kornilovitch, P. E. (2012). Mobile small bipolarons on a three-dimensional cubic lattice. Physical Review B, 86(3) 035106.

DOI: https://doi.org/10.1103/PhysRevB.86.035106

Abstract

We use numerically exact quantum Monte Carlo (QMC) to compute the properties of three-dimensional bipolarons for interaction strengths where perturbation theory fails. For intermediate electron-phonon coupling and Hubbard U, we find that bipolarons can be both small and light, a prerequisite for bipolaron superconductivity. We use the QMC results to make estimates of transition temperatures, which peak at between 90–120 K and are demonstrated to be insensitive to Coulomb repulsion and impurities.

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