Determinant quantum Monte Carlo study of the two-dimensional single-band Hubbard-Holstein model

Johnston, S.; Nowadnick, E. A.; Kung, Y. F.; Moritz, B.; Scalettar, R. T.; Devereaux, T. P.

doi:10.1103/PhysRevB.87.235133

Title: Determinant quantum Monte Carlo study of the two-dimensional single-band Hubbard-Holstein model

Journal Article · Mon Jun 24 00:00:00 EDT 2013 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.87.235133· OSTI ID:1344125

Johnston, S. ^[1]; Nowadnick, E. A. ^[2]; Kung, Y. F. ^[2]; Moritz, B. ^[3]; Scalettar, R. T. ^[4]; Devereaux, T. P. ^[5]

Univ. of British Columbia, Vancouver, BC (Canada). Dept. of Physics and Astronomy and Quantum Matter Inst.; SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Inst. for Materials and Energy Sciences
SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Inst. for Materials and Energy Sciences; Stanford Univ., CA (United States). Dept. of Physics
SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Inst. for Materials and Energy Sciences; Univ. of North Dakota, Grand Forks, ND (United States). Dept. of Physics and Astrophysics; Northern Illinois Univ., DeKalb, IL (United States). Dept. of Physics
Univ. of California, Davis, CA (United States). Dept. of Physics
SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Inst. for Materials and Energy Sciences

Here, we performed numerical studies of the Hubbard-Holstein model in two dimensions using determinant quantum Monte Carlo (DQMC). We also present details of the method, emphasizing the treatment of the lattice degrees of freedom, and then study the filling and behavior of the fermion sign as a function of model parameters. We find a region of parameter space with large Holstein coupling where the fermion sign recovers despite large values of the Hubbard interaction. This indicates that studies of correlated polarons at finite carrier concentrations are likely accessible to DQMC simulations. We then restrict ourselves to the half-filled model and examine the evolution of the antiferromagnetic structure factor, other metrics for antiferromagnetic and charge-density-wave order, and energetics of the electronic and lattice degrees of freedom as a function of electron-phonon coupling. From this we find further evidence for a competition between charge-density-wave and antiferromagnetic order at half- filling.

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Research Organization:: Univ. of California, Davis, CA (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: NA0001842; AC02-76SF00515; FC0206ER25793; NA0001842-0; AC02-05CH11231

OSTI ID:: 1344125

Alternate ID(s):: OSTI ID: 1103868

Journal Information:: Physical Review. B, Condensed Matter and Materials Physics, Vol. 87, Issue 23; ISSN 1098-0121

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 49 works

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Quasiparticle properties of the nonlinear Holstein model at finite doping and temperature Li, Shaozhi; Nowadnick, E. A.; Johnston, S. Physical Review B, Vol. 92, Issue 6 https://doi.org/10.1103/physrevb.92.064301	journal	August 2015
Accelerating lattice quantum Monte Carlo simulations using artificial neural networks: Application to the Holstein model Li, Shaozhi; Dee, Philip M.; Khatami, Ehsan Physical Review B, Vol. 100, Issue 2 https://doi.org/10.1103/physrevb.100.020302	journal	July 2019
Renormalization of spectra by phase competition in the half-filled Hubbard-Holstein model Nowadnick, E. A.; Johnston, S.; Moritz, B. arXiv https://doi.org/10.48550/arxiv.1502.00686	text	January 2015

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