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Title: Benchmark study of the two-dimensional Hubbard model with auxiliary-field quantum Monte Carlo method

Authors:
; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1282432
Grant/Contract Number:
SC0008627
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 94; Journal Issue: 8; Related Information: CHORUS Timestamp: 2016-08-04 18:11:21; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Qin, Mingpu, Shi, Hao, and Zhang, Shiwei. Benchmark study of the two-dimensional Hubbard model with auxiliary-field quantum Monte Carlo method. United States: N. p., 2016. Web. doi:10.1103/PhysRevB.94.085103.
Qin, Mingpu, Shi, Hao, & Zhang, Shiwei. Benchmark study of the two-dimensional Hubbard model with auxiliary-field quantum Monte Carlo method. United States. doi:10.1103/PhysRevB.94.085103.
Qin, Mingpu, Shi, Hao, and Zhang, Shiwei. 2016. "Benchmark study of the two-dimensional Hubbard model with auxiliary-field quantum Monte Carlo method". United States. doi:10.1103/PhysRevB.94.085103.
@article{osti_1282432,
title = {Benchmark study of the two-dimensional Hubbard model with auxiliary-field quantum Monte Carlo method},
author = {Qin, Mingpu and Shi, Hao and Zhang, Shiwei},
abstractNote = {},
doi = {10.1103/PhysRevB.94.085103},
journal = {Physical Review B},
number = 8,
volume = 94,
place = {United States},
year = 2016,
month = 8
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1103/PhysRevB.94.085103

Citation Metrics:
Cited by: 4works
Citation information provided by
Web of Science

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  • The one-dimensional Hubbard model is studied at and close to half-filling using a generalization of Handscomb's quantum Monte Carlo method. Results for spin-correlation functions and susceptibilities are presented for systems of up to 128 sites. The spin-correlation function at low temperature is well described by a recently introduced formula relating the correlation function of a finite periodic system to the corresponding [ital T]=0 correlation function of the infinite system. For the [ital T][r arrow]0 divergence of the [ital q]=2[ital k][sub [ital F]] spin susceptibility, our results are consistent with the form [chi](2[ital k][sub [ital F]])[similar to][vert bar]ln([ital T])[vert bar][sup [sigma]][italmore » T[ital K]][sub [rho]][minus]1, with [sigma]=1/2.« less
  • Quantum Monte Carlo methods are used to study a quantum phase transition in a one-dimensional Hubbard model with on-site interaction U and a staggered ionic potential ({Delta}). Using recently formulated methods, the electronic polarization and localization are determined directly from the correlated ground state wave function and compared to results of previous work using exact diagonalization and Hartree-Fock. We find a transition from a symmetric band insulator to a broken-symmetry bond ordered (BO) phase as the ratio of U/{Delta} is increased, with a metallic point at the transition. Since it is known that at {Delta}=0 the usual Hubbard model ismore » a Mott insulator (MI) with no long-range order, we have searched for a second transition to this state by (i) increasing U at fixed {Delta} and (ii) decreasing {Delta} at fixed U. We find no transition from the BO to MI state, and we propose that the symmetric MI state exists only at {Delta}{equivalent_to}0.« less
  • Cited by 7
  • 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 andmore » 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.« less
  • We implement a quantum Monte Carlo calculation for a repulsive Hubbard model with nearest- and next-nearest-neighbor hopping interactions on clusters up to 12{times}12. A parameter region where the Fermi level lies close to the van Hove singularity at the saddle points in the bulk band structure is investigated. A pairing tendency in the {ital d}{sub {ital x}{sup 2}{minus}{ital y}{sup 2}} symmetry channel, but no other channel, is found. Estimates of the effective pairing interaction show that it is close to the value required for a 40 K superconductor. Finite-size scaling compares with the attractive Hubbard model. {copyright}{ital 1996 The Americanmore » Physical Society.}« less