Doped Hubbard Model Research Articles

Stripes versus superconductivity in the doped Hubbard model on the honeycomb lattice

We study the ground state of the doped Hubbard model on the honeycomb lattice in the small doping and strongly interacting region. The nature of the ground state by doping holes into the anti-ferromagnetic Mott insulating states on the honeycomb lattice remains a long-standing unsolved issue, even though tremendous efforts have been spent to investigate this challenging problem. An accurate determination of the ground state in this system is crucial to understand the interplay between the topology of Fermi surface and strong correlation effect. In this work, we employ two complementary, state-of-the-art, many-body computational methods -- constrained path (CP) auxiliary-field quantum Monte Carlo (AFQMC) with self-consistent constraint and density matrix renormalization group (DMRG) methods. Systematic and detailed cross-validations are performed between these two methods for narrow systems where DMRG can produce reliable results. AFQMC are then utilized to study wider systems to investigate the thermodynamic limit properties. The ground state is found to be a half-filled stripe state in the small doping and strongly interacting region. The pairing correlation shows $d$-wave symmetry locally, but decays exponentially with the distance between two pairs.

Stripes, Antiferromagnetism, and the Pseudogap in the Doped Hubbard Model at Finite Temperature

The interplay between thermal and quantum fluctuations controls the competition between phases of matter in strongly correlated electron systems. We study finite-temperature properties of the strongly coupled two-dimensional doped Hubbard model using the minimally-entangled typical thermal states (METTS) method on width $4$ cylinders. We discover that a phase characterized by commensurate short-range antiferromagnetic correlations and no charge ordering occurs at temperatures above the half-filled stripe phase extending to zero temperature. The transition from the antiferromagnetic phase to the stripe phase takes place at temperature $T/t \approx 0.05$ and is accompanied by a step-like feature of the specific heat. We find the single-particle gap to be smallest close to the nodal point at $\mathbf{k}=(\pi/2, \pi/2)$ and detect a maximum in the magnetic susceptibility. These features bear a strong resemblance to the pseudogap phase of high-temperature cuprate superconductors. The simulations are verified using a variety of different unbiased numerical methods in the three limiting cases of zero temperature, small lattice sizes, and half-filling. Moreover, we compare to and confirm previous determinantal quantum Monte Carlo results on incommensurate spin-density waves at finite doping and temperature.

Numerical approaches for calculating the low-field dc Hall coefficient of the doped Hubbard model

Using determinant Quantum Monte Carlo, we compare three methods of evaluating the dc Hall coefficient $R_H$ of the Hubbard model: the direct measurement of the off-diagonal current-current correlator $\chi_{xy}$ in a system coupled to a finite magnetic field (FF), $\chi_{xy}^{\text{FF}}$; the three-current linear response to an infinitesimal field as measured in the zero-field (ZF) Hubbard Hamiltonian, $\chi_{xy}^{\text{ZF}}$; and the leading order of the recurrent expansion $R_H^{(0)}$ in terms of thermodynamic susceptibilities. The two quantities $\chi_{xy}^{\text{FF}}$ and $\chi_{xy}^{\text{ZF}}$ can be compared directly in imaginary time. Proxies for $R_H$ constructed from the three-current correlator $\chi_{xy}^{\text{ZF}}$ can be determined under different simplifying assumptions and compared with $R_H^{(0)}$. We find these different quantities to be consistent with one another, validating previous conclusions about the close correspondence between Fermi surface topology and the sign of $R_H$, even for strongly correlated systems. These various quantities also provide a useful set of numerical tools for testing theoretical predictions about the full behavior of the Hall conductivity for strong correlations.

Anderson localization effects on the doped Hubbard model

We derive the disorder vs. doping phase diagram of the doped Hubbard model via Dynamical Mean Field Theory combined with Typical Medium Theory, which allows the description of both Mott (correlation driven) and Anderson (disorder driven) metal-insulator transitions. We observe a transition from a metal to an Anderson-Mott insulator for increasing disorder strength at all interactions. In the weak correlation regime and rather small doping, the Anderson-Mott insulator displays properties which are alike to the ones found at half-filling. In particular, this phase is characterized by the presence of empty sites. If we further increase either the doping or the correlation however, an Anderson-Mott phase of different kind arises for sharply weaker disorder strength. This phase occupies the largest part of the phase diagram in the strong correlation regime, and is characterized by the absence of the empty sites.

Intertwined charge, spin, and pairing orders in doped iron ladders

Motivated by recent experimental progress on iron-based ladder compounds, we study the doped two-orbital Hubbard model for the two-leg ladder BaFe$_2$S$_3$. The model is constructed by using {\it ab initio} hopping parameters and the ground state properties are investigated using the density matrix renormalization group method. We show that the $(\pi,0)$ magnetic ordering at half-filling, with ferromagnetic rungs and antiferromagnetic legs, becomes incommensurate upon hole doping. Moreover, depending on the strength of the Hubbard $U$ coupling, other magnetic patterns, such as $(0,\pi)$, are also stabilized. We found that the binding energy for two holes becomes negative for intermediate Hubbard interaction strength, indicating hole pairing. Due to the crystal-field split among orbitals, the holes primarily reside in one orbital, with the other one remaining half-filled. This resembles orbital selective Mott states. The formation of tight hole pairs continues with increasing hole density, as long as the magnetic order remains antiferromagnetic in one direction. The study of pair-pair correlations indicates the dominance of the intra-orbital spin-singlet channel, as opposed to other pairing channels. Although in a range of hole doping pairing correlations decay slowly, our results can also be interpreted as corresponding to a charge-density-wave made of pairs, a precursor of eventual superconductivity after interladder couplings are included. Such scenario of intertwined orders has been extensively discussed before in the cuprates, and our results suggest a similar physics could exist in ladder iron-based superconductors. Finally, we also show that a robust Hund's coupling is needed for pairing to occur.

Stripe order in the doped Hubbard model on the honeycomb lattice

We study the ground state properties of the doped Hubbard model with strong interactions on honeycomb lattice by the Density Matrix Renormalization Group (DMRG) method. At half-filling, due to the absence of minus sign problem, it is now well established by large-scale Quantum Monte Carlo calculations that a Dirac semi-metal to anti-ferromagnetic Mott insulator transition occurs with the increase of the interaction strength $U$ for the Hubbard model on honeycomb lattice. However, an understanding of the fate of the anti-ferromagnetic Mott insulator when holes are doped into the system is still lacking. In this work, by calculating the local spin and charge density for width-4 cylinders with DMRG, we discover a half-filled stripe order in the doped Hubbard model on honeycomb lattice. We also perform complementary large-scale mean-field calculations with renormalized interaction strength. We observe half-filled stripe order and find stripe states with filling close to one half are nearly degenerate in energy.

Entropy in the Non-Fermi-Liquid Regime of the Doped 2D Hubbard Model.

We study thermodynamic properties of the doped Hubbard model on the square lattice in the regime of strong charge and spin fluctuations at low temperatures near the metal-to-insulator crossover and obtain results with controlled accuracy using the diagrammatic MonteCarlo method directly in the thermodynamic limit. The behavior of the entropy reveals a non-Fermi-liquid state at sufficiently high interactions near half filling: A maximum in the entropy at nonzero doping develops as the coupling strength is increased, along with an inflection point, evidencing a metal to non-Fermi-liquid crossover. The specific heat exhibits additional distinctive features of a non-Fermi-liquid state. Measurements of the entropy can, therefore, be used as a probe of the state of the system in quantum simulation experiments with ultracold atoms in optical lattices.

Dominant superconducting pairing symmetry in doped staggered-flux Hubbard model on a square lattice

A constrained path quantum Monte Carlo simulation is performed to investigate the superconducting pairing correlation in doped staggered-flux Hubbard model on a square lattice, which is an interesting platform to host Dirac fermions. For various electron fillings and interaction strengths, the [Formula: see text] pairing dominates over other pairing forms since its long-range correlation is larger over mostly distances. We deepen our study by including the nearest-neighbor interaction [Formula: see text] and found the [Formula: see text] pairing correlation is slightly suppressed by increasing [Formula: see text].

Emergence of quasiparticles in a doped Mott insulator

How a Mott insulator develops into a weakly coupled metal upon doping is a central question to understanding various emergent correlated phenomena. To analyze this evolution and its connection to the high-Tc cuprates, we study the single-particle spectrum for the doped Hubbard model using cluster perturbation theory on superclusters. Starting from extremely low doping, we identify a heavily renormalized quasiparticle dispersion that immediately develops across the Fermi level, and a weakening polaronic side band at higher binding energy. The quasiparticle spectral weight roughly grows at twice the rate of doping in the low doping regime, but this rate is halved at optimal doping. In the heavily doped regime, we find both strong electron-hole asymmetry and a persistent presence of Mott spectral features. Finally, we discuss the applicability of the single-band Hubbard model to describe the evolution of nodal spectra measured by angle-resolved photoemission spectroscopy (ARPES) on the single-layer cuprate La2−xSrxCuO4 (0 ≤ x ≤ 0.15). This work benchmarks the predictive power of the Hubbard model for electronic properties of high-Tc cuprates.

Entanglement and Classical Correlations at the Doping-Driven Mott Transition in the Two-Dimensional Hubbard Model

Tools of quantum information theory offer a new perspective to characterize phases and phase transitions in interacting many-body quantum systems. The Hubbard model is the archetypal model of such systems and can explain rich phenomena of quantum matter with minimal assumptions. Recent measurements of entanglement-related properties of this model using ultracold atoms in optical lattices hint that entanglement could provide the key to understanding open questions of the doped Hubbard model, including the remarkable properties of the pseudogap phase. These experimental findings call for a theoretical framework and new predictions. Here we approach the doped Hubbard model in two dimensions from the perspective of quantum information theory. We study the local entropy and the total mutual information across the doping-driven Mott transition within plaquette cellular dynamical mean-field theory. We find that upon varying doping these two entanglement-related properties detect the Mott insulating phase, the strongly correlated pseudogap phase, and the metallic phase. Imprinted in the entanglement-related properties we also find the pseudogap to correlated metal first-order transition, its finite temperature critical endpoint, and its supercritical crossovers. Through this footprint we reveal an unexpected interplay of quantum and classical correlations. Our work shows that sharp variation in the entanglement-related properties and not broken symmetry phases characterizes the onset of the pseudogap phase at finite temperature.

Functional renormalization group for fermion lattice models in three dimensions: Application to the Hubbard model on the cubic lattice

The channel-decomposed functional renormalization group (FRG) approach, most recently in the variant of truncated-unity-(TU-)FRG, has so far been used for various two-dimensional model systems. Yet, for many interesting material systems the third spatial dimension is of clear relevance. Therefore FRG schemes working in three spatial dimensions (3D) are definitely on the wishlist. Here we demonstrate that a 3D TUFRG scheme can be set up in straightforward extension of previous 2D codes and gives physically sensible results with affordable numerical effort, both regarding the qualitative as well as the quantitative description. The computed phase diagram of the three-dimensional Hubbard model at half filling or perfect nesting shows a phase transition to a \((\pi,\pi,\pi)\)-ordered antiferromagnetic ground state for repulsive interactions at an energy scale that compares well with other numerical approaches in the literature. Furthermore, the method allowed us to detect a \(d\)-wave pairing and a concurring \((\pi,\pi,0)\) antiferromagnetic ground state in the hole doped Hubbard model.

Absence of Superconductivity in the Pure Two-Dimensional Hubbard Model

We study the superconducting pairing correlations in the ground state of the doped Hubbard model -- in its original form without hopping beyond nearest neighbor or other perturbing parameters -- in two dimensions at intermediate to strong coupling and near optimal doping. The nature of such correlations has been a central question ever since the discovery of cuprate high-temperature superconductors. Despite unprecedented effort and tremendous progress in understanding the properties of this fundamental model, a definitive answer to whether the ground state is superconducting in the parameter regime most relevant to cuprates has proved exceedingly difficult to establish. In this work, we employ two complementary, state-of-the-art many-body computational methods, constrained path (CP) auxiliary-field quantum Monte Carlo (AFQMC) and density matrix renormalization group (DMRG) methods, deploying the most recent algorithmic advances in each. Systematic and detailed comparisons between the two methods are performed. The DMRG is extremely reliable on small width cylinders, where we use it to validate the AFQMC. The AFQMC is then used to study wide systems as well as fully periodic systems, to establish that we have reached the thermodynamic limit. The ground state is found to be non-superconducting in the moderate to strong coupling regime in the vicinity of optimal hole doping.

Ground state phase diagram of the doped Hubbard model on the four-leg cylinder

We study the ground state properties of the Hubbard model on a 4-leg cylinder with doped hole concentration per site $\delta\leq 12.5\%$ using density-matrix renormalization group. By keeping a large number of states for long system sizes, we find that the nature of the ground state is remarkably sensitive to the presence of next-nearest-neighbor hopping $t'$. Without $t'$ the ground state of the system corresponds with the insulating filled stripe phase with long-range charge-density-wave (CDW) order and short-range incommensurate spin correlations appears. However, for a small negative $t'$ a phase characterized by coexisting algebraic d-wave superconducting (SC)- and algebraic CDW correlations. In addition, it shows short range spin- and fermion correlations consistent with a canonical Luther-Emery (LE) liquid, except that the charge- and spin periodicities are consistent with half-filled stripes instead of the $4 k_F$ and $2 k_F$ wavevectors generic for one dimensional chains. For a small positive $t'$ yet another phase takes over showing similar SC and CDW correlations. However, the fermions are now characterized by a (near) infinite correlation length while the gapped spin system is characterized by simple staggered antiferromagnetic correlations. We will show that this is consistent with a LE formed from a weakly coupled (BCS like) d-wave superconductor on the ladder where the interactions have only the effect to stabilize a cuprate style magnetic resonance.

Real-frequency diagrammatic Monte Carlo at finite temperature

Diagrammatic expansions are a central tool for treating correlated electron systems. At thermal equilibrium, they are most naturally defined within the Matsubara formalism. However, extracting any dynamic response function from a Matsubara calculation ultimately requires the ill-defined analytical continuation from the imaginary- to the real-frequency domain. It was recently proposed [Phys. Rev. B 99, 035120 (2019)] that the internal Matsubara summations of any interaction-expansion diagram can be performed analytically by using symbolic algebra algorithms. The result of the summations is then an analytical function of the complex frequency rather than Matsubara frequency. Here we apply this principle and develop a diagrammatic Monte Carlo technique which yields results directly on the real-frequency axis. We present results for the self-energy $\Sigma(\omega)$ of the doped 32x32 cyclic square-lattice Hubbard model in a non-trivial parameter regime, where signatures of the pseudogap appear close to the antinode. We discuss the behavior of the perturbation series on the real-frequency axis and in particular show that one must be very careful when using the maximum entropy method on truncated perturbation series. Our approach holds great promise for future application in cases when analytical continuation is difficult and moderate-order perturbation theory may be sufficient to converge the result.

Strange metallicity in the doped Hubbard model.

Strange or bad metallic transport, defined by incompatibility with the conventional quasiparticle picture, is a theme common to many strongly correlated materials, including high-temperature superconductors. The Hubbard model represents a minimal starting point for modeling strongly correlated systems. Here we demonstrate strange metallic transport in the doped two-dimensional Hubbard model using determinantal quantum Monte Carlo calculations. Over a wide range of doping, we observe resistivities exceeding the Mott-Ioffe-Regel limit with linear temperature dependence. The temperatures of our calculations extend to as low as 1/40 of the noninteracting bandwidth, placing our findings in the degenerate regime relevant to experimental observations of strange metallicity. Our results provide a foundation for connecting theories of strange metals to models of strongly correlated materials.

Superconductivity in the doped Hubbard model and its interplay with next-nearest hopping t ′

Tweaking the Hubbard model Modeling high-temperature superconductivity (HTS) remains extremely challenging. Many researchers believe that the simplest model that captures HTS is the Hubbard model, which accounts for interactions and allows for electrons to hop from one site of a lattice to another. However, even just determining whether the ground state of this model supports superconductivity is tricky. Jiang and Devereaux undertook an extensive computational study based on a method known as density matrix renormalization group. They found that for a particular concentration of empty lattice sites, superconductivity indeed appears as a long-range state, but only if electrons are allowed to hop to sites that are next to their immediate neighbors on the lattice. Science , this issue p. 1424

Metallic and insulating stripes and their relation with superconductivity in the doped Hubbard model

The dualism between superconductivity and charge/spin modulations (the so-called stripes) dominates the phase diagram of many strongly-correlated systems. A prominent example is given by the Hubbard model, where these phases compete and possibly coexist in a wide regime of electron dopings for both weak and strong couplings. Here, we investigate this antagonism within a variational approach that is based upon Jastrow-Slater wave functions, including backflow correlations, which can be treated within a quantum Monte Carlo procedure. We focus on clusters having a ladder geometry with MM legs (with MM ranging from 22 to 1010) and a relatively large number of rungs, thus allowing us a detailed analysis in terms of the stripe length. We find that stripe order with periodicity \lambda=8λ=8 in the charge and 2\lambda=162λ=16 in the spin can be stabilized at doping \delta=1/8δ=1/8. Here, there are no sizable superconducting correlations and the ground state has an insulating character. A similar situation, with \lambda=6λ=6, appears at \delta=1/6δ=1/6. Instead, for smaller values of dopings, stripes can be still stabilized, but they are weakly metallic at \delta=1/12δ=1/12 and metallic with strong superconducting correlations at \delta=1/10δ=1/10, as well as for intermediate (incommensurate) dopings. Remarkably, we observe that spin modulation plays a major role in stripe formation, since it is crucial to obtain a stable striped state upon optimization. The relevance of our calculations for previous density-matrix renormalization group results and for the two-dimensional case is also discussed.

String patterns in the doped Hubbard model.

Understanding strongly correlated quantum many-body states is one of the most difficult challenges in modern physics. For example, there remain fundamental open questions on the phase diagram of the Hubbard model, which describes strongly correlated electrons in solids. In this work, we realize the Hubbard Hamiltonian and search for specific patterns within the individual images of many realizations of strongly correlated ultracold fermions in an optical lattice. Upon doping a cold-atom antiferromagnet, we find consistency with geometric strings, entities that may explain the relationship between hole motion and spin order, in both pattern-based and conventional observables. Our results demonstrate the potential for pattern recognition to provide key insights into cold-atom quantum many-body systems.

Classifying snapshots of the doped Hubbard model with machine learning

Quantum gas microscopes for ultracold atoms can provide high-resolution real-space snapshots of complex many-body systems. We implement machine learning to analyze and classify such snapshots of ultracold atoms. Specifically, we compare the data from an experimental realization of the two-dimensional Fermi-Hubbard model to two theoretical approaches: a doped quantum spin liquid state of resonating valence bond type, and the geometric string theory, describing a state with hidden spin order. This approach considers all available information without a potential bias towards one particular theory by the choice of an observable and can therefore select the theory which is more predictive in general. Up to intermediate doping values, our algorithm tends to classify experimental snapshots as geometric-string-like, as compared to the doped spin liquid. Our results demonstrate the potential for machine learning in processing the wealth of data obtained through quantum gas microscopy for new physical insights.

Ferromagnetic instability for the single-band Hubbard model in the strong-coupling regime

We study a ferromagnetic instability in a doped single-band Hubbard model by means of dynamical mean-field theory with the continuous-time quantum Monte Carlo simulations. Examining the effect of the strong correlations in the system on the hypercubic and Bethe lattice, we find that the ferromagnetically ordered state appears in the former, while it does not in the latter. We also reveal that the ferromagnetic order is more stable in the case that the noninteracting DOS exhibits a slower decay in the high-energy region. The present results suggest that, in the strong-coupling regime, the high-energy part of DOS plays an essential role for the emergence of the ferromagnetically ordered state, in contrast to the Stoner criterion justified in the weak interaction limit.