The realization of antiferromagnetic (AF) correlations in ultracold fermionic atoms on an optical lattice is a significant achievement. Experiments have been carried out in one, two, and three dimensions, and have also studied anisotropic configurations with stronger tunneling in some lattice directions. Such anisotropy is relevant to the physics of cuprate superconductors and other strongly correlated materials. Moreover, this anisotropy might be harnessed to enhance AF order. Here we numerically investigate, using the determinant quantum Monte Carlo method, a simple realization of anisotropy in the three-dimensional (3D) Hubbard model in which the tunneling between planes, ${t}_{\ensuremath{\perp}}$, is unequal to the intraplane tunneling
t. This model interpolates between the three-dimensional isotropic (${t}_{\ensuremath{\perp}}=t$) and two-dimensional (2D; ${t}_{\ensuremath{\perp}}=0$) systems. We show that at fixed interaction strength to tunneling ratio (
U/t), anisotropy can enhance the magnetic structure factor relative to both 2D and 3D results. However, this enhancement occurs at interaction strengths below those for which the N\'eel temperature ${T}_{\mathrm{N}\stackrel{\ifmmode \acute{}\else \'{}\fi{}}{\mathrm{e}}\mathrm{el}}$ is largest, in such a way that the structure factor cannot be made to exceed its value in isotropic 3D systems at the optimal
U/t. We characterize the 2D-3D crossover in terms of the magnetic structure factor, real space spin correlations, number of doubly occupied sites, and thermodynamic observables. An interesting implication of our results stems from the entropy's dependence on anisotropy. As the system evolves from 3D to 2D, the entropy at a fixed temperature increases. Correspondingly, at fixed entropy, the temperature will decrease going from 3D to 2D. This suggests a cooling protocol in which the dimensionality is adiabatically changed from 3D to 2D.
We study the thermodynamic properties of the 3D Hubbard model for temperatures down to the Néel temperature by using cluster dynamical mean-field theory. In particular, we calculate the energy, entropy, density, double occupancy, and nearest-neighbor spin correlations as a function of chemical potential, temperature, and repulsion strength. To make contact with cold-gas experiments, we also compute properties of the system subject to an external trap in the local density approximation. We find that an entropy per particle S/N ≈ 0.65(6) at U/t = 8 is sufficient to achieve a Néel state in the center of the trap, substantially higher than the entropy required in a homogeneous system. Precursors to antiferromagnetism can clearly be observed in nearest-neighbor spin correlators.
We study the thermodynamics of the three-dimensional Hubbard model at half filling on approach to the N\'eel transition by means of large-scale unbiased diagrammatic determinant Monte Carlo simulations. We obtain the transition temperature in the strongly correlated regime, as well as the temperature dependence of the energy, entropy, double occupancy, and nearest-neighbor spin correlation function. Our results improve the accuracy of previous unbiased studies and present accurate benchmarks in the ongoing effort to realize the antiferromagnetic state of matter with ultracold atoms in optical lattices.
Optical lattice experiments with ultracold fermion atoms and quantum gas microscopy have recently realized direct measurements of magnetic correlations at the site-resolved level. We calculate the short-range spin-correlation functions in the ground state of the two-dimensional repulsive Hubbard model with the auxiliary-field quantum Monte Carlo (AFQMC) method. The results are numerically exact at half filling where the fermion sign problem is absent. Away from half filling, we employ the constrained path AFQMC approach to eliminate the exponential computational scaling from the sign problem. The constraint employs unrestricted Hartree-Fock trial wave functions with an effective interaction strength
U, which is optimized self-consistently within AFQMC. Large supercells are studied, with twist averaged boundary conditions as needed, to reach the thermodynamic limit. We find that the nearest-neighbor spin correlation always increases with the interaction strength
U, contrary to the finite-temperature behavior where a maximum is reached at a finite
U value. We also observe a change of sign in the next-nearest-neighbor spin correlation with increasing density, which is a consequence of the buildup of the long-range antiferromagnetic correlation. We expect the results presented in this paper to serve as a benchmark as lower temperatures are reached in ultracold atom experiments.
We use determinantal quantum Monte Carlo simulations and numerical linked-cluster expansions to study thermodynamic properties and short-range spin correlations of fermions in the honeycomb lattice. We find that, at half filling and finite temperatures, nearest-neighbor spin correlations can be stronger in this lattice than in the square lattice, even in regimes where the ground state in the former is a semimetal or a spin liquid. The honeycomb lattice also exhibits a more pronounced anomalous region in the double occupancy that leads to stronger adiabatic cooling than in the square lattice. We discuss the implications of these findings for optical lattice experiments.
The exchange coupling between quantum mechanical spins lies at the origin of quantum magnetism. We report on the observation of nearest-neighbor magnetic spin correlations emerging in the many-body state of a thermalized Fermi gas in an optical lattice. The key to obtaining short-range magnetic order is a local redistribution of entropy within the lattice structure. This is achieved in a tunable-geometry optical lattice, which also enables the detection of the magnetic correlations. We load a low-temperature two-component Fermi gas with repulsive interactions into either a dimerized or an anisotropic simple cubic lattice. For both systems the correlations manifest as an excess number of singlets as compared to triplets consisting of two atoms with opposite spins. For the anisotropic lattice, we determine the transverse spin correlator from the singlet-triplet imbalance and observe antiferromagnetic correlations along one spatial axis. Our work paves the way for addressing open problems in quantum magnetism using ultracold fermions in optical lattices as quantum simulators.