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arXiv:2008.02179 · Physical review. B./Physical review. B

Quantum many-body simulations of the two-dimensional Fermi-Hubbard model in ultracold optical lattices

Bin-Bin Chen, Chuang Chen, Ziyu Chen, Jian Cui, Yueyang Zhai, Andreas Weichselbaum, Jan von Delft, Zi Yang Meng, Wei Li

Published Jan 19, 2021• 26 citations
arXivHTMLPDF

Abstract

Understanding quantum many-body states of correlated electrons is one main theme in modern condensed-matter physics. Given that the Fermi-Hubbard model, the prototype of correlated electrons, was recently realized in ultracold optical lattices, it is highly desirable to have controlled numerical methodology to provide precise finite-temperature results upon doping to directly compare with experiments. Here, we demonstrate the exponential tensor renormalization group (XTRG) algorithm [Chen et al., Phys. Rev. X 8, 031082 (2018)], complemented by independent determinant quantum Monte Carlo, offers a powerful combination of tools for this purpose. XTRG provides full and accurate access to the density matrix and thus various spin and charge correlations, down to an unprecedented low temperature of a few percent of the tunneling energy. We observe excellent agreement with ultracold fermion measurements at both half filling and finite doping, including the sign-reversal behavior in spin correlations due to formation of magnetic polarons, and the attractive hole-doublon and repulsive hole-hole pairs that are responsible for the peculiar bunching and antibunching behaviors of the antimoments.

DOI
10.1103/physrevb.103.l041107

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Understanding quantum many-body states of correlated electrons is one main theme in modern condensed-matter physics. Given that the Fermi-Hubbard model, the prototype of correlated electrons, was recently realized in ultracold optical lattices, it is highly desirable to have controlled numerical methodology to provide precise finite-temperature results upon doping to directly compare with experiments. Here, we demonstrate the exponential tensor renormalization group (XTRG) algorithm [Chen et al., Phys. Rev. X 8, 031082 (2018)], complemented by independent determinant quantum Monte Carlo, offers a powerful combination of tools for this purpose. XTRG provides full and accurate access to the density matrix and thus various spin and charge correlations, down to an unprecedented low temperature of a few percent of the tunneling energy. We observe excellent agreement with ultracold fermion measurements at both half filling and finite doping, including the sign-reversal behavior in spin correlations due to formation of magnetic polarons, and the attractive hole-doublon and repulsive hole-hole pairs that are responsible for the peculiar bunching and antibunching behaviors of the antimoments.
Strong electron correlations lie at the origin of high-temperature superconductivity. Its essence is believed to be captured by the Fermi-Hubbard model of repulsively interacting fermions on a lattice. Here we report on the site-resolved observation of charge and spin correlations in the two-dimensional (2D) Fermi-Hubbard model realized with ultracold atoms. Antiferromagnetic spin correlations are maximal at half-filling and weaken monotonically upon doping. At large doping, nearest-neighbor correlations between singly charged sites are negative, revealing the formation of a correlation hole, the suppressed probability of finding two fermions near each other. As the doping is reduced, the correlations become positive, signaling strong bunching of doublons and holes, in agreement with numerical calculations. The dynamics of the doublon-hole correlations should play an important role for transport in the Fermi-Hubbard model.
In this thesis, I present the experimental realisation of the two-dimensional Hubbard model with ultracold fermionic Potassium-40 atoms in optical lattices. By tuning the dimensionality, kinetic and interaction in the optical lattices, we perform an analogue quantum simulation to explore the phase diagram of the Hubbard model. \n \nThe first key result is the experimental observation of particle-hole symmetry, namely a phase mapping between repulsive and attractive interactions. We compare a density-ordered, Mott-insulating phase with repulsive interaction to a spin-ordered, preformed pair phase and found excellent agreement with the theoretical prediction. The precise control and excellent detection capability of our quantum gas apparatus allow us to validate the particle-hole symmetry, and utilise it to explore quantum phases with a novel approach. \n \nNext, we investigate the spin-ordering on the repulsive side. By implementing a novel scheme based on coherent manipulation of spin correlations, we probe the anti-ferromagnetic ordering in the low-temperature phase diagram. The momentum-resolved spin correlations permit the reconstruction of spatial correlators without site-resolved imaging fidelity. \n \nFinally, we probe the attractive side of the phase diagram with a focus in pairing phenomenon, in which we draw a close analogy with BCS-BEC crossovers present in high-temperature superconducting cuprates and trapped ultracold Fermi gases. From the pair correlation function derived from thermodynamics observables, we observe the competition between the effective Pauli repulsion in fermionic systems and the on-site attraction we implemented.
The Hubbard model is a longstanding problem in the theory of strongly correlated electrons and a very active one in the experiments with ultracold fermionic atoms. Motivated by current and prospective quantum simulations, we apply a two-dimensional tensor network---an infinite projected entangled pair state---evolved in imaginary time by the neighborhood tensor update algorithm working directly in the thermodynamic limit. With $\mathrm{U}(1)\ifmmode\times\else\texttimes\fi{}\mathrm{U}(1)$ symmetry and the bond dimensions up to 29, we generate thermal states down to the temperature of 0.17 times the hopping rate. We obtain results for spin and charge correlators, unaffected by boundary effects. The spin correlators---measurable in prospective ultracold atoms experiments attempting to approach the thermodynamic limit---provide evidence of disruption of the antiferromagnetic background with mobile holes in a slightly doped Hubbard model. The charge correlators reveal the presence of hole-doublon pairs near half filling and signatures of hole-hole repulsion on doping. We also obtain specific heat in the slightly doped regime.
In this work, we benchmark the well-controlled and numerically accurate exponential thermal tensor renormalization group (XTRG) in the simulation of interacting spin models in two dimensions. Finite temperature introduces a finite thermal correlation length $\ensuremath{\xi}$, such that for system sizes $L\ensuremath{\gg}\ensuremath{\xi}$ finite-size calculations actually simulate the thermodynamic limit. In this paper, we focus on the square lattice Heisenberg antiferromagnet (SLH) and quantum Ising models (QIM) on open and cylindrical geometries up to width W=10W=10W=10. We explore various one-dimensional mapping paths in the matrix product operator (MPO) representation, whose performance is clearly shown to be geometry dependent. We benchmark against quantum Monte Carlo (QMC) data, yet also the series-expansion thermal tensor network results. Thermal properties including the internal energy, specific heat, and spin structure factors, etc. are computed with high precision, obtaining excellent agreement with QMC results. XTRG also allows us to reach remarkably low temperatures. For SLH, we obtain an energy per site ${u}_{g}^{*}\ensuremath{\simeq}\ensuremath{-}0.6694(4)$ and a spontaneous magnetization ${m}_{S}^{*}\ensuremath{\simeq}0.30(1)$ already consistent with the ground-state properties, which is obtained from extrapolated low-TTT thermal data on $W\ensuremath{\le}8$ cylinders and $W\ensuremath{\le}10$ open strips, respectively. We extract an exponential divergence versus TTT of the structure factor S(M)S(M)S(M), as well as the correlation length $\ensuremath{\xi}$, at the ordering wave vector $M=(\ensuremath{\pi},\ensuremath{\pi})$, which represents the renormalized classical behavior and can be observed over a narrow but appreciable temperature window, by analyzing the finite-size data by XTRG simulations. For the QIM with a finite-temperature phase transition, we employ several thermal quantities, including the specific heat, Binder ratio, as well as the MPO entanglement to determine the critical temperature Tc{T}_{c}Tc​.
Ultracold fermionic atoms in optical lattices offer pristine realizations of Hubbard models1, which are fundamental to modern condensed-matter physics2,3. Despite notable advancements4–6, the accessible temperatures in these optical lattice material analogues are still too high to address many open problems7–10. Here we demonstrate a several-fold reduction in temperature6,11–13, bringing large-scale quantum simulations of the Hubbard model into an entirely new regime. This is accomplished by transforming a low-entropy product state into strongly correlated states of interest via dynamic control of the model parameters14,15, which is extremely challenging to simulate classically10. At half-filling, the long-range antiferromagnetic order is close to saturation, leading to a temperature of T/t=0.05−0.05+0.06T/t=0.0{5}_{-0.05}^{+0.06}T/t=0.05−0.05+0.06​ based on comparisons with numerically exact simulations. Doped away from half-filling, it is exceedingly challenging to realize systematically accurate and predictive numerical simulations9. Importantly, we are able to use quantum simulation to identify a new pathway for achieving similarly low temperatures with doping. This is confirmed by comparing short-range spin correlations to state-of-the-art, but approximate, constrained-path auxiliary-field quantum Monte Carlo simulations16–18. Compared with the cuprates2,19,20, the reported temperatures correspond to a reduction from far above to below room temperature, at which physics such as the pseudogap and stripe phases may be expected3,19,21–24. Our work opens the door to quantum simulations that solve open questions in material science, develop synergies with numerical methods and theoretical studies, and lead to discoveries of new physics8,10. A several-fold reduction in temperature is accomplished using a neutral-atom Hubbard quantum simulator by transforming a low-entropy product state into strongly correlated states of interest via dynamic control of the model parameters.
The Kagome lattice Fermi-Hubbard model is one of the most physically rich, and at the same time most challenging, models to study in strongly-correlated physics. Among its special features are geometric frustration and a flat energy band that create conditions favorable to ferromagnetism near the band insulating limit. Here, we utilize two exact finite-temperature methods, the numerical linked-cluster expansion and the determinant quantum Monte Carlo, to study the extent as well as doping and interaction dependence of ferromagnetic correlations and other thermodynamic properties of the model. We find that repulsive interactions enhance ferromagnetic correlations at high electron densities and that increasing the interaction strength, extends the region with strong ferromagnetic correlations towards half filling, smoothly connecting it to Nagaoka ferromagnetism near the Mott insulating region. We also use the charge compressibility to obtain an accurate estimate for the critical interaction strength for the metal-insulator transition at half filling. These results improve our understanding of the magnetic tendencies of the model away from half filling and pave the way for further studies, including with ultracold atoms in optical lattices.