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arXiv:1105.3356

Double occupancy as a universal probe for antiferromagnetic correlations and entropy in cold fermions on optical lattices

Elena V. Gorelik, Thereza Paiva, Richard T. Scalettar, Andreas Klümper, Nils Blümer

Published May 17, 2011• 1 citation
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Abstract

We verify signatures of antiferromagnetic (AF) correlations in the double occupancy D [Gorelik et al., PRL 105, 065301 (2010)] and study their dimensional dependence using direct quantum Monte Carlo in dimensions d=2,3 and Bethe Ansatz in d=1. We find quantitative agreement with dynamical mean-field theory (DMFT) in the cubic case and qualitative agreement down to d=1. As a function of entropy s=S/(N k_B), D is nearly universal with respect to d; the minimum in D(s) approaches s=log(2) at strong coupling, as predicted by DMFT. Long-range order appears hardly relevant for the current search of AF signatures in cold fermions. Thus, experimentalists need not achieve s

DOI
10.48550/arxiv.1105.3356

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We verify signatures of antiferromagnetic (AF) correlations in the double occupancy D [Gorelik et al., PRL 105, 065301 (2010)] and study their dimensional dependence using direct quantum Monte Carlo in dimensions d=2,3 and Bethe Ansatz in d=1. We find quantitative agreement with dynamical mean-field theory (DMFT) in the cubic case and qualitative agreement down to d=1. As a function of entropy s=S/(N k_B), D is nearly universal with respect to d; the minimum in D(s) approaches s=log(2) at strong coupling, as predicted by DMFT. Long-range order appears hardly relevant for the current search of AF signatures in cold fermions. Thus, experimentalists need not achieve s
We determine antiferromagnetic (AF) signatures in the half-filled Hubbard model at strong coupling on a cubic lattice and in lower dimensions. Upon cooling, the transition from the charge-excitation regime to the AF Heisenberg regime is signaled by a universal minimum of the double occupancy at entropy $s\ensuremath{\equiv}S/(N{k}_{\text{B}})={s}^{*}\ensuremath{\approx}\mathrm{ln}(2)$ per particle and a linear increase of the next-nearest-neighbor (NNN) spin correlation function for s<s∗s<{s}^{*}s<s∗. This crossover, driven by a gain in kinetic exchange energy, appears as the essential AF physics relevant for current cold-atom experiments. The onset of long-range AF order (at low sss on cubic lattices) is hardly visible in nearest-neighbor spin correlations versus sss, but could be detected in spin correlations at or beyond NNN distances.
We study the magnetic ordering transition for a system of harmonically trapped ultracold fermions with repulsive interactions in a cubic optical lattice, within a real-space extension of dynamical mean-field theory. Using a quantum Monte Carlo impurity solver, we establish that antiferromagnetic correlations are signaled, at strong coupling, by an enhanced double occupancy. This signature is directly accessible experimentally and should be observable well above the critical temperature for long-range order. Dimensional aspects appear less relevant than naively expected.
We study the effects of anisotropic hopping amplitudes on quantum phases of ultracold fermions in optical lattices described by the repulsive Fermi-Hubbard model. In particular, using dynamical mean-field theory (DMFT) we investigate the dimensional crossover between the isotropic square and the isotropic cubic lattice. We analyze the phase transition from the antiferromagnetic to the paramagnetic state and observe a significant change in the critical temperature: depending on the interaction strength, the anisotropy can lead to both a suppression or increase. We also investigate the localization properties of the system, such as the compressibility and double occupancy. Using the local-density approximation in combination with DMFT we conclude that density profiles can be used to detect the mentioned anisotropy-driven transitions.
Abstract The celebrated antiferromagnetic (AFM) phase transition was realized in a most recent optical lattice experiment for the 3D fermionic Hubbard model [ Shao et al . Nature 632 267 (2024) ]. Despite this important progress, it was observed that the AFM structure factor (and also the critical entropy) reaches its maximum at an interaction strength U / t ≃ 11.75, which is significantly larger than the theoretical prediction of U / t ≃ 8. Here, we resolve this discrepancy by studying the interplay between the thermal entropy, density disorder, and antiferromagnetism in the half-filled 3D Hubbard model, using numerically exact auxiliary-field quantum Monte Carlo simulations. We have achieved an accurate entropy phase diagram, enabling us to simulate arbitrary entropy path on the temperature-interaction plane and track experimental parameters effectively. We find that above the discrepancy can be quantitatively explained by the entropy increase associated with increasing interaction strength in experiments, and together with the lattice density disorder present in the experimental setup. We further investigate the entropy dependence of double occupancy and predict universal behaviors that could serve as valuable probes in future optical lattice experiments.
Abstract The interaction-driven crossover from a Slater insulator to a Mott insulator in the Néel-ordered ground state of the Hubbard model is a fundamental paradigm of strongly correlated electrons, yet its quantitative characterization has remained elusive. Here we establish a clear and experimentally accessible thermal criterion for this crossover via the sign change of the temperature derivative of double occupancy, ( ∂D / ∂T ) U , near zero temperature. In the Slater regime, ( ∂D / ∂T ) U > 0 reflects the major role of charge fluctuations; in the Mott regime, the anomalous ( ∂D / ∂T ) U < 0, a manifestation of the Pomeranchuk effect, signals the dominance of low-energy spin superexchange physics. Using exact diagonalization and numerically exact quantum Monte Carlo simulations, we demonstrate that this criterion determines the crossover boundary at U cross / t = 4.0(2) for the half-filled two-dimensional Hubbard model. Furthermore, we obtain a consistent boundary independently from the maximum in the antiferromagnetic correlation length, which also arises from the superexchange physics. These two thermal signatures are theoretically unified through the local minimum of thermal entropy versus interaction U at low temperatures. Our results offer a direct, measurable, and physically intuitive framework to identify the SlaterMott crossover in optical lattice experiments.
Recently, it has become possible to tune optical lattices continuously between square and triangular geometries. We compute thermodynamics and spin correlations in the corresponding Hubbard model using a determinant quantum Monte Carlo technique and show that the frustration effects induced by the variable hopping terms can be clearly separated from concomitant bandwidth changes by a proper rescaling of the interaction. An enhancement of the double occupancy by geometric frustration signals the destruction of nontrivial antiferromagnetic correlations at weak coupling and entropy $s\ensuremath{\lesssim}\mathrm{ln}(2)$ (and restores Pomeranchuk cooling at strong frustration), paving the way to the long-sought experimental detection of antiferromagnetism in ultracold fermions on optical lattices.