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Phonon modulated hopping polarons: x-representation technique

Nikolay V. Prokof'ev1 and Boris V. Svistunov1,2

  • 1Department of Physics, University of Massachusetts, Amherst, Massachusetts 01003, USA
  • 2Wilczek Quantum Center, School of Physics and Astronomy, and T. D. Lee Institute, Shanghai Jiao Tong University, Shanghai 200240, China

Phys. Rev. B 106, L041117 – Published 27 July, 2022

DOI: https://doi.org/10.1103/PhysRevB.106.L041117

Abstract

We report a breakthrough development allowing one to solve a broad class of polaron problems with highly nonlinear electron-phonon coupling that were considered unsolvable without uncontrolled simplifications in the past using a Monte Carlo technique formulated in the coordinate representation for both the particle and the atomic displacements. The only condition is the sign positivity of the hopping amplitude. The technique dramatically simplifies (with the corresponding efficiency gains) for models with dispersionless phonons. Our study sheds important light on the nature and universality of the most striking qualitative and quantitative effects demonstrated by the “standard” (Peierls/Su-Schrieffer-Heeger) model based on the linearized displacement-modulated hopping.

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