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  • Letter

Bond bipolarons: Sign-free Monte Carlo approach

Chao Zhang1, Nikolay V. Prokof'ev2, and Boris V. Svistunov2,3,4

  • 1State Key Laboratory of Precision Spectroscopy, East China Normal University, Shanghai 200062, China
  • 2Department of Physics, University of Massachusetts, Amherst, Massachusetts 01003, USA
  • 3National Research “Center Kurchatov Institute,” 123182 Moscow, Russia
  • 4Wilczek Quantum Center, School of Physics and Astronomy and T. D. Lee Institute, Shanghai Jiao Tong University, Shanghai 200240, China

Phys. Rev. B 105, L020501 – Published 11 January, 2022

DOI: https://doi.org/10.1103/PhysRevB.105.L020501

Abstract

Polarons originating from phonon displacement modulated hopping have relatively light masses and thus are of significant current interest as candidates for the bipolaron mechanism of high-temperature superconductivity [Sous et al., Phys. Rev. Lett. 121, 247001 (2018)]. We observe that the bond model, when the dominant coupling comes from atomic vibrations on lattice bonds, can be solved by efficient sign-free Monte Carlo methods based on the path-integral formulation of the particle sector in combination with either the (real-space) diagrammatic or Fock-path-integral representation of the phonon sector. We introduce the corresponding algorithms and provide illustrative results for singlet bipolarons in two dimensions. The data suggest that the route towards high-temperature superconductivity (if any) in the multiparametric space of the model lies between the Scylla of large size of moderately light bipolarons and the Charybdis of large mass of compact bipolarons. As a result, on-site repulsion is helping s-wave superconductivity in sharp contrast with existing expectations.

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