Determinant quantum Monte Carlo study of the twodimensional singleband HubbardHolstein model
Abstract
Here, we performed numerical studies of the HubbardHolstein 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 halffilled model and examine the evolution of the antiferromagnetic structure factor, other metrics for antiferromagnetic and chargedensitywave order, and energetics of the electronic and lattice degrees of freedom as a function of electronphonon coupling. From this we find further evidence for a competition between chargedensitywave and antiferromagnetic order at half filling.
 Authors:

 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
 Publication Date:
 Research Org.:
 Univ. of California, Davis, CA (United States)
 Sponsoring Org.:
 USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC22)
 OSTI Identifier:
 1344125
 Alternate Identifier(s):
 OSTI ID: 1103868
 Grant/Contract Number:
 NA0001842; AC0276SF00515; FC0206ER25793; NA00018420; AC0205CH11231
 Resource Type:
 Accepted Manuscript
 Journal Name:
 Physical Review. B, Condensed Matter and Materials Physics
 Additional Journal Information:
 Journal Volume: 87; Journal Issue: 23; Journal ID: ISSN 10980121
 Publisher:
 American Physical Society (APS)
 Country of Publication:
 United States
 Language:
 English
 Subject:
 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Citation Formats
Johnston, S., Nowadnick, E. A., Kung, Y. F., Moritz, B., Scalettar, R. T., and Devereaux, T. P. Determinant quantum Monte Carlo study of the twodimensional singleband HubbardHolstein model. United States: N. p., 2013.
Web. doi:10.1103/PhysRevB.87.235133.
Johnston, S., Nowadnick, E. A., Kung, Y. F., Moritz, B., Scalettar, R. T., & Devereaux, T. P. Determinant quantum Monte Carlo study of the twodimensional singleband HubbardHolstein model. United States. doi:10.1103/PhysRevB.87.235133.
Johnston, S., Nowadnick, E. A., Kung, Y. F., Moritz, B., Scalettar, R. T., and Devereaux, T. P. Mon .
"Determinant quantum Monte Carlo study of the twodimensional singleband HubbardHolstein model". United States. doi:10.1103/PhysRevB.87.235133. https://www.osti.gov/servlets/purl/1344125.
@article{osti_1344125,
title = {Determinant quantum Monte Carlo study of the twodimensional singleband HubbardHolstein model},
author = {Johnston, S. and Nowadnick, E. A. and Kung, Y. F. and Moritz, B. and Scalettar, R. T. and Devereaux, T. P.},
abstractNote = {Here, we performed numerical studies of the HubbardHolstein 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 halffilled model and examine the evolution of the antiferromagnetic structure factor, other metrics for antiferromagnetic and chargedensitywave order, and energetics of the electronic and lattice degrees of freedom as a function of electronphonon coupling. From this we find further evidence for a competition between chargedensitywave and antiferromagnetic order at half filling.},
doi = {10.1103/PhysRevB.87.235133},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 23,
volume = 87,
place = {United States},
year = {2013},
month = {6}
}
Web of Science