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arXiv:1309.3974 · Physical Review A

Competition of spin and charge excitations in the one-dimensional Hubbard model

Bruno Sciolla, Akiyuki Tokuno, Shun Uchino, Peter Barmettler, Thierry Giamarchi, Corinna Kollath

Published Dec 16, 2013• 18 citations
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Abstract

Motivated by recent experiments with ultracold fermionic atoms in optical lattices, we study finite temperature magnetic correlations, as singlet and triplet correlations, and the double occupancy in the one-dimensional Hubbard model. We point out that for intermediate interaction strengths the double occupancy has an intriguing doubly nonmonotonic temperature dependence due to the competition between spin and charge modes, related to the Pomeranchuk effect. Furthermore, we determine properties of magnetic correlations in the temperature regimes relevant for current cold atom experiments and discuss effects of the trap on spatially integrated observables. We estimate the entropy and the temperature reached in the experiment by Greif, Uehlinger, Jotzu, Tarruell, and Esslinger [Science 340, 1307 (2013)].

DOI
10.1103/physreva.88.063629

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Motivated by recent experiments with ultracold fermionic atoms in optical lattices, we study finite temperature magnetic correlations, as singlet and triplet correlations, and the double occupancy in the one-dimensional Hubbard model. We point out that for intermediate interaction strengths the double occupancy has an intriguing doubly nonmonotonic temperature dependence due to the competition between spin and charge modes, related to the Pomeranchuk effect. Furthermore, we determine properties of magnetic correlations in the temperature regimes relevant for current cold atom experiments and discuss effects of the trap on spatially integrated observables. We estimate the entropy and the temperature reached in the experiment by Greif, Uehlinger, Jotzu, Tarruell, and Esslinger [Science 340, 1307 (2013)].
We investigate the momentum-resolved spin and charge susceptibilities, as well as the chemical potential and double occupancy in the two-dimensional Hubbard model as functions of doping, temperature, and interaction strength. Through these quantities, we identify a weak-coupling regime, a strong-coupling regime with short-range correlations and an intermediate-coupling regime with long magnetic correlation lengths. In the spin channel, we observe an additional crossover from commensurate to incommensurate correlations. In contrast, we find charge correlations to be only short ranged for all studied temperatures, which suggests that the spin and charge responses are decoupled. These findings were obtained by a connected determinant diagrammatic Monte Carlo algorithm for the computation of double expansions, which we introduce in this paper. This permits us to obtain numerically exact results at temperatures as low as T=0.067T=0.067T=0.067 and interactions up to U=7U=7U=7, while working on arbitrarily large lattices. Our method also allows us to gain physical insights from investigating the analytic structure of perturbative series. We connect to previous work by studying smaller lattice geometries and report substantial finite-size effects.
Using two-dimensional optical lattices, it has recently become possible to split up clouds of ultra cold atoms into collections of parallel one-dimensional tubes in which the dynamics is restricted to the direction along their axis. Since the Feshbach-resonance interactions among atoms are short ranged, they can be approximated as contact interactions. It is thus possible to realize optical-trap versions of some classic integrable systems first studied by Lieb, Gaudin, Yang and others. Such systems can display exotic physics like spin-charge separation and unusual paired states. We focus on the study of systems of fermions in one-dimension. At finite temperatures, regimes such as the spin-coherent and the spin-incoherent Luttinger liquids can be realized by tuning the inter-atomic interaction strength and trap parameters. We identify the noise correlation of density fluctuations as a robust observable to discriminate between these two regimes. We also address the effects of spin imbalance for the case of attractive interactions, and study the one-dimensional analog of spatially modulated (FFLO) superconducting states. Our focus is on how the temperature affects the density profiles that are being measured in the experiments. The theoretical study of temperature effects in these systems is of experimental relevance for the problem of thermometry.
We study strongly correlated Hubbard systems extended to symmetric NNN-component fermions. We focus on the intermediate-temperature regime between magnetic superexchange and interaction energy, which is relevant to current ultracold fermionic atom experiments. The NNN-component fermions are represented by slave particles, and, by using a diagrammatic technique based on the atomic limit, spectral functions are analytically obtained as a function of temperature, filling factor, and the component number NNN. We also apply this analytical technique to the calculation of lattice modulation experiments. We compute the production rate of double occupancy induced by modulation of an optical lattice potential. Furthermore, we extend the analysis to take into account the trapping potential by use of the local density approximation. We find an excellent agreement with recent experiments on 173{}^{173}173Yb atoms.
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.
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 ttt. 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/tU/tU/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/tU/tU/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 have systematically studied the thermodynamic properties of a two-dimensional half-filled SU(2N)\mathrm{SU}(2N)SU(2N) Hubbard model on a square lattice by using the determinant quantum Monte Carlo method. The entropy-temperature relation, the isoentropy curve, and the probability distribution of the on-site occupation number are calculated in both SU(4) and SU(6) cases, which exhibit prominent features of the Pomeranchuk effect. We analyze these thermodynamic behaviors based on energy scales in the density and spin channels. In the density channel, the interaction strength that marks the crossover from the weak to strong interaction regimes increases with the number of fermion components. In the spin channel, increasing the number of fermion components enhances quantum spin fluctuations, which is shown in the simulations of uniform spin susceptibilities and antiferromagnetic structure factors.