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Bulletin of the American Physical Society

Quantum Monte Carlo study of antiferromagnetic correlations in the Positive $U$ Fermi-Hubbard model

Thereza Paiva, Russell Hart, Pedro Duarte, Ernie Yang, Xinxing Liu, Randall G. Hulet, David A. Huse, Richard T. Scalettar, Nandini Trivedi

Published Mar 3, 2014• 0 citations
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Quantum Monte Carlo study of antiferromagnetic correlations in the Positive UUU Fermi-Hubbard model
The ground state of the hard-core Fermi-Hubbard model with a single hole (and otherwise half-filled) is a ferromagnet on the square lattice, but an antiferromagnet on the triangular lattice, as those spin patterns minimize the kinetic energy of the hole. What is the magnetic behavior as one interpolates between these two geometries? Using a sophisticated quantum Monte Carlo algorithm, the authors determine here the magnetic correlations as the lattice is varied. Their calculations are performed in the thermodynamic limit and at temperatures comparable to current cold-atom experiments. They find a magnetic crossover between the two geometries, and calculate signatures of it that are observable in these experiments.
We study the phase diagram of the two-dimensional repulsive Hubbard model with spin-dependent anisotropic hopping at half filling. The system develops Ising antiferromagnetic long-range order already at infinitesimal repulsive interaction strength in the ground state. Outside the perturbative regime, unbiased predictions for the critical temperatures of the Ising antiferromagnet are made for representative interaction values by a variety of state-of-the-art quantum Monte Carlo methods, including the diagrammatic Monte Carlo, continuous-time determinantal Monte Carlo, and path-integral Monte Carlo methods. Our findings are relevant to ultracold atom experiments in the ppp orbital or with spin-dependent optical lattices.
We apply the methodology of our recent paper 'The Dynamics of the Hubbard Model through Stochastic Calculus and Girsanov Transformation' [1] to thermodynamic correlation functions in the Fermi-Hubbard model. They can be obtained from a stochastic differential equation (SDE) system. To this SDE system, a Girsanov transformation can be applied. This has the effect that the usual determinant or pfaffian which shows up in a pfaffian quantum Monte Carlo (PfQMC) representation [2] basically gets absorbed into the new integration variables and information from that pfaffian moves into the drift part of the transformed SDE system. While the PfQMC representation depends heavily on the choice of how the quartic interaction has been factorized into quadratic quantities in the beginning, the Girsanov transformed formula has the very remarkable property that it is nearly independent of that choice, the drift part of the transformed SDE system as well as a remaining exponential which has the obvious meaning of energy are always the same and do not depend on the Hubbard-Stratonovich details. The resulting formula may serve as a starting point for further theoretical or numerical investigations. Here we consider the spin-spin correlation at half-filling on a bipartite lattice and obtain an analytical proof that the signs of these correlations have to be of antiferromagnetic type, at arbitrary temperatures. Also, by checking against available benchmark data [3], we find that approximate ground state energies can be obtained from an ODE system. This may even hold for exact ground state energies, but future work would be required to prove or disprove this. As in [1], the methodology is generic and can be applied to arbitrary quantum many body or quantum field theoretical models.