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Bond-Peierls polaron: Moderate mass enhancement and current-carrying ground state

Matthew R. Carbone1,2,*, Andrew J. Millis3,4,†, David R. Reichman2,‡, and John Sous3,§

  • 1Computational Science Initiative, Brookhaven National Laboratory, Upton, New York 11973, USA
  • 2Department of Chemistry, Columbia University, New York, New York 10027, USA
  • 3Department of Physics, Columbia University, New York, New York 10027, USA
  • 4Center for Computational Quantum Physics, Flatiron Institute, 162 5th Avenue, New York, New York 10010, USA

  • *mcarbone@bnl.gov
  • †ajm2021@columbia.edu
  • ‡drr2103@columbia.edu
  • §js5530@columbia.edu

Phys. Rev. B 104, L140307 – Published 28 October, 2021

DOI: https://doi.org/10.1103/PhysRevB.104.L140307

Abstract

We study polarons in the one-dimensional Bond-Peierls electron-phonon model in which phonons on bonds of a lattice modulate the hopping of electrons between lattice sites and contrast the results to those known for the breathing-mode Peierls problem. By inspecting the atomic limit, we show that polaronic dressing and mass enhancement of Bond-Peierls polarons depend on the momentum dependence of the phonons. For dispersionless phonons, Bond-Peierls polarons are perfectly localized in the atomic limit, unlike their breathing-mode counterparts because the carrier creates a string of phonon excitations that can only be annihilated via processes that retrace the carrier to its original site. However, inclusion of phonon dispersion leads to a nondivergent polaron mass even in the atomic limit and depending on the form of the phonon dispersion may lead to a transition to a non-zero-momentum ground state akin to that found in the breathing-mode Peierls model.

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