Frustrated Hubbard Model Research Articles

Magnetic correlations of a doped and frustrated Hubbard model: Benchmarking the two-particle self-consistent theory against a quantum simulator

Magnetic correlations of a doped and frustrated Hubbard model: Benchmarking the two-particle self-consistent theory against a quantum simulator

Site-resolved observables in the doped spin-imbalanced triangular Hubbard model

The suppression of antiferromagnetic ordering in geometrically frustrated Hubbard models leads to a variety of exotic quantum phases including quantum spin liquids and chiral states. Here, we focus on the Hubbard model on one of the simplest frustrated lattice geometries, a triangular lattice. Motivated by the recent realization of ultracold fermionic atoms in triangular optical lattices, we study the properties of the triangular-lattice Hubbard model through a Numerical Linked-Cluster Expansion algorithm. We investigate the Mott insulator transition finding a critical interaction $U_c/t = 7.0(2)$ and use spatial two- and three-point correlation functions to explore doped and imbalanced systems. Our results demonstrate that many interesting features occur at temperatures previously obtained for ultracold fermions in optical lattices and are accessible by upcoming experiments. Our calculations will be helpful for thermometry in ultracold atom quantum simulators and can guide experimental searches for exotic quantum phases in atomic triangular Hubbard quantum simulators.

D- and p-wave Quantum Liquid Crystal Orders in Cuprate Superconductors, κ-(BEDT-TTF)2X, and Coupled Chain Hubbard Models: Functional-renormalization-group Analysis

Unconventional symmetry breaking without spin order,such as the rotational symmetry breaking (=nematic or smectic) orders as well as the spontaneous loop-current orders, have been recently reported in cuprate superconductors and their related materials.They are theoretically represented by non-$A_{1g}$ symmetry breaking in self-energy, which we call the form factor $f_{k,q}$.In this paper, we analyze typical Hubbard models by applying the renormalization-group (RG) method, and find that various unconventional ordering emerges due to the quantum interference among spin fluctuations. Due to this mechanism,nematic ($q=0$) and smectic ($q \ne 0$)bond orders with $d$-wave form factor appear $f_{k,q}\propto \cos k_x - \cos k_y$ in both cuprates and $\kappa$-(BEDT-TTF)$_2$X. The derived bond orders naturally explain the pseudogap behaviors in these compounds. The quantum interference also induces various current orders with odd-parity form factor. For example, we find the emergence of the charge and spin loop-current orders with $p$-wave form factor in geometrically frustrated Hubbard models. Thus, rich quantum phase transitions with $d$- and $p$-wave form factors are driven by the paramagnon interference in many low-dimensional Hubbard models.

Emergence of charge loop current in the geometrically frustrated Hubbard model: A functional renormalization group study

Spontaneous current orders due to odd-parity order parameters attract increasing attention in various strongly correlated metals. Here, we discover a novel spin-fluctuation-driven charge loop current (cLC) mechanism based on the functional renormalization group (fRG) theory. The present mechanism leads to the ferro-cLC order in a simple frustrated chain Hubbard model. The cLC appears between the antiferromagnetic and $d$-wave superconducting ($d$SC) phases. While the microscopic origin of the cLC has a close similarity to that of the $d$SC, the cLC transition temperature $T_{\rm cLC}$ can be higher than the $d$SC one for wide parameter range. Furthermore, we reveal that the ferro cLC order is driven by the strong enhancement of the forward scatterings $g_2$ and $g_4$ owing to the two dimensionality based on the $g$-ology language. The present study indicates that the cLC can emerge in metals near the magnetic criticality with geometrical frustration

Ground state wave functions for single-band Hubbard models from the Gutzwiller conjugate gradient minimisation theory

The Gutzwiller conjugate gradient minimisation (GCGM) theory is an ab initio quantum many-body theory for computing the ground-state properties of infinite systems. Previous applications of GCGM provides satisfying accuracy of ground-state energy of Hubbard models. In the current work, we address the problem of whether the obtained wave function is a good approximation for the true ground state by comparing the correlation functions with the benchmark data. Our results confirms the accuracy of the reproduced ground state of the regular Hubbard model, but with some exception for the frustrated Hubbard model.

Superconductivity due to cooperation of electron-electron and electron-phonon interactions at quarter filling

We present the results of Quantum Monte Carlo calculations for a two dimensional frustrated Hubbard model coupled to bond phonons. The model is known to have a d-wave superconducting ground state in the limit of large phonon frequency for sufficiently strong electron-phonon coupling. In the absence of electron-phonon coupling the Hubbard interaction U enhances superconducting pairing in the quarter-filled (density $\rho$ = 0.5) band. We show here that at $\rho$ = 0.5 electron-electron and electron-phonon interactions cooperatively reinforce d-wave pairing, while competing with each other at all other densities. Cooperative degrees of freedom are found in many phase transitions and are essential to understanding superconductivity in strongly correlated materials.

Finite-Temperature Signatures of Spin Liquids in Frustrated Hubbard Model

Finite-temperature properties of the frustrated Hubbard model are theoretically examined by using the recently proposed thermal pure quantum state, which is an unbiased numerical method for finite-temperature calculations. By performing systematic calculations for the frustrated Hubbard model, we show that the geometrical frustration controls the characteristic energy scale of the metal-insulator transitions. We also find that entropy remains large even at moderately high temperature around the region where the quantum spin liquid is expected to appear at zero temperature. We propose that this is a useful criterion whether the target systems have a chance to be the quantum spin liquid or the non-magnetic insulator at zero temperature.

Anisotropy crossover in the frustrated Hubbard model on four-chain cylinders

Motivated by dimensional crossover in layered organic ${\kappa}$ salts, we determine the phase diagram of a system of four periodically coupled Hubbard chains with frustration at half filling as a function of the interchain hopping ${t_{\perp}/t}$ and interaction strength ${U/t}$ at a fixed ratio of frustration and interchain hopping ${t'/t_{\perp}=-0.5}$. We cover the range from the one-dimensional limit of uncoupled chains (${t_{\perp}/t=0.0}$) to the isotropic model (${t_{\perp}/t=1.0}$). For strong ${U/t}$, we find an antiferromagnetic insulator; in the weak-to-moderate-interaction regime, the phase diagram features quasi-one-dimensional antiferromagnetic behavior, an incommensurate spin-density wave, and a metallic phase as ${t_{\perp}/t}$ is increased. We characterize the phases through their magnetic ordering, dielectric response, and dominant static correlations. Our analysis is based primarily on a variant of the density-matrix renormalization-group algorithm based on an efficient hybrid-real-momentum-space formulation, in which we can treat relatively large lattices albeit of a limited width. This is complemented by a variational cluster approximation study with a cluster geometry corresponding to the cylindrical lattice allowing us to directly compare the two methods for this geometry. As an outlook, we make contact with work studying dimensional crossover in the full two-dimensional system.

Phase Diagram of the Frustrated Square-Lattice Hubbard Model: Variational Cluster Approach

The variational cluster approximation is used to study the frustrated Hubbard model at half filling defined on the two-dimensional square lattice with anisotropic next-nearest-neighbor hopping parameters. We calculate the ground-state phase diagrams of the model in a wide parameter space for a variety of lattice geometries, including square, crossed-square, and triangular lattices. We examine the Mott metal-insulator transition and show that, in the Mott insulating phase, magnetic phases with N\'eel, collinear, and spiral orders appear in relevant parameter regions, and in an intermediate region between these phases, a nonmagnetic insulating phase caused by the quantum fluctuations in the geometrically frustrated spin degrees of freedom emerges.

Ground-state phase diagram of the square lattice Hubbard model from density matrix embedding theory

We compute the ground-state phase diagram of the Hubbard and frustrated Hubbard models on the square lattice with density matrix embedding theory using clusters of up to 16 sites. We provide an error model to estimate the reliability of the computations and complexity of the physics at different points in the diagram. We find superconductivity in the ground-state as well as competition between inhomogeneous charge, spin, and pairing states at low doping. The estimated errors in the study are below T$_c$ in the cuprates and on the scale of contributions in real materials that are neglected in the Hubbard model.

Bad-Metal Behavior Reveals Mott Quantum Criticality in Doped Hubbard Models.

Bad-metal (BM) behavior featuring linear temperature dependence of the resistivity extending to well above the Mott-Ioffe-Regel (MIR) limit is often viewed as one of the key unresolved signatures of strong correlation. Here we associate the BM behavior with the Mott quantum criticality by examining a fully frustrated Hubbard model where all long-range magnetic orders are suppressed, and the Mott problem can be rigorously solved through dynamical mean-field theory. We show that for the doped Mott insulator regime, the coexistence dome and the associated first-order Mott metal-insulator transition are confined to extremely low temperatures, while clear signatures of Mott quantum criticality emerge across much of the phase diagram. Remarkable scaling behavior is identified for the entire family of resistivity curves, with a quantum critical region covering the entire BM regime, providing not only insight, but also quantitative understanding around the MIR limit, in agreement with the available experiments.

Haldane phase in the Hubbard model at 2/3-filling for the organic molecular compound Mo3S7(dmit)3.

We report the discovery of a correlated insulator with a bulk gap at 2/3 filling in a geometrically frustrated Hubbard model that describes the low-energy physics of Mo3S7(dmit)3. This is very different from the Mott insulator expected at half-filling. We show that the insulating phase, which persists even for very weak electron-electron interactions (U), is adiabatically connected to the Haldane phase and is consistent with experiments on Mo3S7(dmit)3.

Dimensional-Crossover-Driven Mott Transition in the Frustrated Hubbard Model

We study the Mott transition in a frustrated Hubbard model with next-nearest neighbor hopping at half-filling. The interplay between interaction, dimensionality, and geometric frustration closes the one-dimensional Mott gap and gives rise to a metallic phase with Fermi surface pockets. We argue that they emerge as a consequence of remnant one-dimensional umklapp scattering at the momenta with vanishing interchain hopping matrix elements. In this pseudogap phase, enhanced d-wave pairing correlations are driven by antiferromagnetic fluctuations. Within the adopted cluster dynamical mean-field theory on the 8 × 2 cluster and down to our lowest temperatures, the transition from one to two dimensions is continuous.

Electron energy spectrum of the spin-liquid state in a frustrated Hubbard model

Non-local correlation effects in the half-filled Hubbard model on an isotropic triangular lattice are studied within a spin polarized extension of the dual fermion approach. A competition between the antiferromagnetic non-collinear and the spin liquid states is strongly enhanced by an incorporation of a k-dependent self-energy beyond the local dynamical mean-field theory. The dual fermion correc- tions drastically decrease the energy of a spin liquid state while leaving the non-collinear magnetic states almost non-affected. This makes the spin liquid to become a preferable state in a certain interval of interaction strength of an order of the magnitude of a bandwidth. The spectral function of the spin-liquid Mott insulator is determined by a formation of local singlets which results in the energy gap of about twice larger than that of the 120 degrees antiferromagnetic Neel state.

Non-Fermi-liquid signatures in the Hubbard model due to van Hove singularities

When a van Hove singularity is located in the vicinity of the Fermi level, the electronic scattering rate acquires a nonanalytic contribution. This invalidates basic assumptions of Fermi liquid theory and within treatments based on perturbation theory leads to a non-Fermi liquid self-energy and transport properties. Such anomalies are shown to also occur in the strongly correlated metallic state within dynamical mean-field theory. We consider the Hubbard model on a two-dimensional square lattice with nearest- and next-nearest-neighbor hoppings within the single-site dynamical mean-field theory. At temperatures on the order of the low-energy scale ${T}_{0}$ an unusual maximum emerges in the imaginary part of the self-energy which is renormalized toward the Fermi level for finite doping. At zero temperature this double-well structure is suppressed but an anomalous energy dependence of the self-energy remains. For the frustrated Hubbard model on the square lattice with next-nearest-neighbor hopping, the presence of the van Hove singularity changes the asymptotic low-temperature behavior of the resistivity from a Fermi liquid to non-Fermi liquid dependency as function of doping. The results of this work are discussed regarding their relevance for high-temperature cuprate superconductors.

Possible origin of the reduced ordered magnetic moment in iron pnictides: A dynamical mean-field theory study

We investigate the phase diagram of a two-band frustrated Hubbard model in the framework of dynamical mean field theory. While a first-order phase transition occurs from a paramagnetic (PM) metal to an antiferromagnetic (AF) insulator when both bands are equally frustrated, an intermediate AF metallic phase appears in each band at different $U_c$ values if only one of the two bands is frustrated, resulting in continuous orbital-selective phase transitions from PM metal to AF metal and AF metal to AF insulator. We argue that such intermediate phases are possibly related to the puzzling AF metallic state with small magnetization observed in undoped iron-pnictide superconductors as well as to the pseudogap features observed in optical experiments.

Superconductivity and antiferromagnetism in the phase diagram of the frustrated Hubbard model within a variational study

The interplay between antiferromagnetism (AF) and superconductivity (SC) in cuprates is studied for the two-dimensional Hubbard model with a diagonal transfer t′, using a variational Monte Carlo method. Optimizing an improved function for strongly correlated values of U/t, we construct phase diagrams in the δ (doping rate)-t′/t space. It is found that the stable state is sensitive to the value of model parameters: For the extremely large values of U/t, a coexisting state is realized for t′/t≳−0.15, whose range of doping rate extends as t′/t increases. In contrast, for t′/t=−0.3, AF and SC states are mutually exclusive, and a coexisting state does not appear. As U/t decreases, the area of pure AF extends, and that of coexisting state shrinks. As a result, the coexisting state disappears for t′/t=−0.15 and U/t=12, probable values for hole-doped cuprates. Compared with the t–J model, the Hubbard model has richer phases.

Exact low-temperature properties of a class of highly frustrated Hubbard models

We study the repulsive Hubbard model both analytically and numerically on a family of highly frustrated lattices which have one-electron states localized on isolated trapping cells. We construct and count exact many-electron ground states for a wide range of electron densities and obtain closed-form expressions for the low-temperature thermodynamic quantities which are universal for all lattices of the family. Furthermore, we find that saturated ferromagnetism is obtained only for sufficiently high electron densities and large Hubbard repulsion $U$ while there is no finite average moment in the ground states at lower densities.

Frustration effects in an anisotropic checkerboard lattice Hubbard model

We study the ground-state properties of the geometrically frustrated Hubbard model on the anisotropic checkerboard lattice with nearest-neighbor hopping $t$ and next-nearest-neighbor hopping ${t}^{\ensuremath{'}}$. By using the path-integral renormalization-group method, we study the phase diagram in the parameter space of the Hubbard interaction $U$ and the frustration-control parameter ${t}^{\ensuremath{'}}/t$. Close examinations of the effective hopping, the double occupancy, the momentum distribution, and the spin- and charge-correlation functions allow us to determine the phase diagram at zero temperature, at which the plaquette-singlet insulator emerges besides the antiferromagnetic insulator and the paramagnetic metal. Spin-liquid insulating states without any kind of symmetry breaking cannot be found in our frustrated model.

Finite-Temperature Mott Transition in Two-Dimensional Frustrated Hubbard Models

We investigate the Hubbard model on two typical frustrated lattices in two dimensions, the kagome lattice and the anisotropic triangular lattice, by means of the cellular dynamical mean field theory. We show that the metallic phase is stabilized up to fairly large Hubbard interactions under strong geometrical frustration in both cases, which results in heavy fermion behavior and several anomalous properties around the Mott transition point. In particular, for the anisotropic triangular lattice, we find novel reentrant behavior in the Mott transition in the moderately frustrated parameter regime, which is caused by the competition between Fermi-liquid formation and magnetic correlations. It is demonstrated that the reentrant behavior is a generic feature inherent in the Mott transition with intermediate geometrical frustration, and indeed in accordance with recent experimental findings for organic materials.