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    Charge order in the half-filled bond-Holstein model

    Charles Jordan1, George Issa1, Ehsan Khatami2, Richard Scalettar1, Benjamin Cohen-Stead3,4, and Steven Johnston3,4

    Phys. Rev. B 113, 235101 – Published 1 June, 2026

    DOI: https://doi.org/10.1103/t11z-24yd

    Abstract

    We use determinant quantum Monte Carlo to study the half-filled ‘‘bond-Holstein’’ model on a square lattice. We find that the model exhibits a charge-density-wave (CDW) phase transition with a critical temperature Tcdw considerably higher than that of the canonical ‘‘site-Holstein’’ model. Using a finite-size scaling analysis of the charge structure factor Scdw, we obtain Tcdw to greater than 1% accuracy. At the same time, local observables also show clear signatures consistent with the transition temperatures inferred from our scaling analysis. We attribute the enhanced CDW tendencies to a phonon-mediated nearest-neighbor electron repulsion that is directly proportional to the dimensionless electron-phonon coupling λ in the atomic (t→0) limit. This behavior contrasts with the site-Holstein case, where the same limit yields only an on-site attraction. We supplement our analysis with results from several unsupervised machine learning methods, which not only confirm our estimates of Tcdw but also provide insight into the high-temperature crossover between a metallic and bipolaron liquid regime.

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