In this paper a description of the Hubbard model on the square lattice with nearest-neighbor transfer integral $t$, on-site repulsion $U$, and $N_a^2\gg 1$ sites consistent with its exact global $SO(3)\times SO(3)\times U(1)$ symmetry is constructed. Our studies profit from the interplay of that recently found global symmetry of the model on any bipartite lattice with the transformation laws under a suitable electron - rotated-electron unitary transformation of a well-defined set of operators and quantum objects. For $U/4t>0$ the occupancy configurations of these objects generate the energy eigenstates that span the one- and two-electron subspace. Such a subspace as defined in this paper contains nearly the whole spectral weight of the excitations generated by application onto the zero-spin-density ground state of one- and two-electron operators. Our description involves three basic objects: charge $c$ fermions, spin-1/2 spinons, and $η$-spin-1/2 $η$-spinons. Alike in chromodynamics the quarks have color but all quark-composite physical particles are color-neutral, the $η$-spinon (and spinons) that are not invariant under that transformation have $η$ spin 1/2 (and spin 1/2) but are part of $η$-spin-neutral (and spin-neutral) $2ν$-$η$-spinon (and $2ν$-spinon) composite $ην$ fermions (and $sν$ fermions) where $ν=1,2,...$ is the number of $η$-spinon (and spinon) pairs.The description introduced here is consistent with a Mott-Hubbard insulating ground state with antiferromagnetic long-range order for half filling at $x=0$ hole concentration and a ground state with short-range spin order for a well-defined range of finite hole concentrations $x>0$.
A novel canonical transformation is offered as the mean for studying properties of a system of strongly correlated electrons. As an example of the utility of the transformation, it is used to demonstrate the existence of a quantum phase transition in a Hubbard model on a square lattice. An Appendix presents two cases with a negative result.
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 Néel, collinear, and spiral orders appear in relevant parameter regions, and in an intermediate region…
We present a study of the hard-core Bose-Hubbard model at zero temperature on an infinite square lattice using the infinite Projected Entangled Pair State algorithm [Jordan et al., Phys. Rev. Lett. 101, 250602 (2008)]. Throughout the whole phase diagram our values for the ground state energy, particle density and condensate fraction accurately reproduce those previously obtained by other methods. We also explore ground state entanglement, compute two-point correlators and conduct a fidelity-based analysis of the phase diagram. Furthermore, for illustrative purposes we simulate the response of …
We study the two-dimensional square lattice Hubbard model for small to moderate interaction strengths $1\leq U/t\leq 4$ by means of the ladder dual fermion approach. The non-local correlations beyond dynamical mean-field theory lower the potential energy, lead to a maximum in the uniform susceptibility and induce a pseudogap in the density of states. While the self-energy exhibits precursors of a possible insulating phase linked to the appearance of long-range fluctuations, the metallic phase persists within the accessible temperature range. Finite-size effects affect results qualitatively. Up…
The Hubbard and Su-Schrieffer-Heeger Hamiltonians (SSH) are iconic models for understanding the qualitative effects of electron-electron and electron-phonon interactions respectively. In the two-dimensional square lattice Hubbard model at half filling, the on-site Coulomb repulsion, $U$, between up and down electrons induces antiferromagnetic (AF) order and a Mott insulating phase. On the other hand, for the SSH model, there is an AF phase when the electron-phonon coupling $λ$ is less than a critical value $λ_c$ and a bond order wave when $λ> λ_c$. In this work, we perform numerical studies on…
Recent experiments on cold atoms in optical lattices allow for a quantitative comparison of the measurements to the conductivity calculations in the square lattice Hubbard model. However, the available calculations do not give consistent results and the question of the exact solution for the conductivity in the Hubbard model remained open. In this letter we employ several complementary state-of-the-art numerical methods to disentangle various contributions to conductivity, and identify the best available result to be compared to experiment. We find that at relevant (high) temperatures, the sel…
We have used exact numerical diagonalization to study the excitation spectrum and the dynamic spin correlations in the $s=1/2$ next-next-nearest neighbor Heisenberg antiferromagnet on the square lattice, with additional 4-spin ring exchange from higher order terms in the Hubbard expansion. We have varied the ratio between Hubbard model parameters, $t/U$, to obtain different relative strengths of the exchange parameters, while keeping electrons localized. The Hubbard model parameters have been parametrized via an effective ring exchange coupling, $J_r$, which have been varied between 0$J$ and 1…
The magnetic properties and Mott transition of the Hubbard model on the square lattice with frustration are studied at half-filling and zero temperature by the variational cluster approximation. When the on-site repulsion $U$ is large, magnetically disordered state is realized in highly frustrated region between the Néel and collinear phases, and no imcommensurate magnetic states are found there. As for the Mott transition, in addition to the Mott gap and double occupancy, which clarify the nature of the transition, the structure of the self-energy in the spectral representation is studied in …
We study the single-orbital Hubbard model on the 1/5-depleted square lattice geometry, which arises in such diverse systems as the spin-gap magnetic insulator CaV4O9 and ordered-vacancy iron selenides, presenting new issues regarding the origin of both magnetic ordering and superconductivity in these materials. We find a rich phase diagram that includes a plaquette singlet phase, a dimer singlet phase, a Neel and a block-spin antiferromagnetic phase, and stripe phases. Quantum Monte Carlo simulations show that the dominant pairing correlations at half filling change character from d-wave in th…
The one-dimensional half-filled Hubbard model is considered at zero temperature within the cellular dynamical mean-field theory (CDMFT). By the computation of the spectral gap and the energy density with various cluster and bath sizes we examine the accuracy of the CDMFT in a systematic way, which proves the accurate description of the one-dimensional systems by the CDMFT with small clusters. We also calculate the spectral weights in a full range of the momentum for various interaction strengths. The results do not only account for the spin-charge separation, but they also reproduce all the fe…
High-temperature bad-metal transport has been recently studied both theoretically and in experiments as one of the key signatures of strong electronic correlations. Here we use the dynamical mean field theory (DMFT) and its cluster extensions, as well as the finite-temperature Lanczos method (FTLM) to explore the influence of lattice frustration on the thermodynamic and transport properties of the Hubbard model at high temperatures. We consider the triangular and the square lattice at half-filling and at 15\% hole-doping. We find that for $T \gtrsim 1.5t$ the self-energy becomes practically lo…
We investigate the magnetic and metal-insulator (M-I) phase diagram of the 1/5-depleted square-lattice Hubbard model at 1/4 filling by the mean-field approximation. There exist three magnetic phases of nonmagnetic (N), antiferromagnetic (AF), and ferromagnetic (F) types, each realized for the large intrasquare hopping t1, intersquare hopping t2, and Coulomb interaction U, respectively. Within each magnetic phase, the M-I transition of Lifshitz type emerges and, finally, six kind of phases are identified in the U-t1/t2 plane. When t1=t2, we find that the Dirac cone and nearly flat band around t…
We investigate ground state properties of the half-filled staggered-flux Hubbard model on a square lattice. Energy gaps to charge and spin excitations and magnetic as well as dimer orders are calculated as a function of interaction strength $U/t$ by means of constrained-path quantum Monte Carlo method. It is found that the system is a semi-metal at $U/t\lesssim 5.6$ and a Mott insulator with long-range antiferromagnetic order at $U/t \gtrsim 6.6$. In the range $5.6\lesssim U/t\lesssim 6.6$, the ground state is an correlated insulator where both magnetic and dimer orders are absent. Furthermore…
We employ the functional renormalization group to investigate the phase diagram of the $t-t'$ Hubbard model on the square lattice with finite chemical potential $μ$ at zero temperature. A unified scheme to derive flow equations in the symmetric and symmetry broken regimes allows a consistent continuation of the renormalization flow in the symmetry broken regimes. At the transition from the symmetric regime to the symmetry broken regimes, our calculation reveals leading instabilities in the d-wave superconducting and antiferromagnetic channels. Furthermore, we find a first order transition betw…
School of Physical Science and Technology, ShanghaiTech University（上海科技大学物理科学与技术学院）；Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory and Stanford University（斯坦福大学材料能源科学研究所，SLAC国家加速器实验室和斯坦福大学）；Department of Materials Science and Engineering, Stanford University（斯坦福大学材料科学与工程系）
We have studied the ground state properties of Hubbard model on long six-leg square cylinders with doped hole concentration per site $5.55\% \leq δ\leq 12.5\%$ 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 electron hopping $t'$. In the positive $t'$ side, we find a robust $d$-wave superconducting (SC) phase characterized by coexisting quasi-long-range SC and charge density wave (CDW) correlations. Without $t'$ the ground state for…
We numerically investigate the quantum criticality of the chiral Heisenberg universality class with the total number of fermion components $N$=8 in terms of the Gross-Neveu theory. Auxiliary-field quantum Monte Carlo simulations are performed for the square lattice Hubbard model in the presence of a $d$-wave pairing field, inducing Dirac cones in the single particle spectrum. This property makes the model particularly interesting because it turns out to belong to the same universality class of the Hubbard model on the honeycomb lattice, that is the canonical model for graphene, despite the uni…
Floquet Engineering Magnetism and Superconductivity in the Square-Lattice Hubbard Model
RWTH Aachen University（亚琛工业大学）；Columbia University（哥伦比亚大学）；Max Planck Institute for the Structure and Dynamics of Matter（物质结构与动力学马普研究所）；Technische Universität Braunschweig（布伦瑞克工业大学）
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 t…
The spectral weight evolution of the low-dimensional Mott insulator TiOCl upon alkali-metal dosing has been studied by photoelectron spectroscopy. We observe a spectral weight transfer between the lower Hubbard band and an additional peak upon electron-doping, in line with quantitative expectations in the atomic limit for changing the number of singly and doubly occupied sites. This observation is an unconditional hallmark of correlated bands and has not been reported before. In contrast, the absence of a metallic quasiparticle peak can be traced back to a simple one-particle effect.
In this paper we consider the simplified form that a recently introduced general operator description of the Hubbard model on the square lattice with $N_a^2\gg 1$ sites, effective transfer integral $t$, and onsite repulsion $U$ has in a suitable one- and two-electron subspace. Such an operator description is that consistent with the model exact global symmetry recently extended to $SO(3)\times SO(3)\times U(1)$. There is a large consensus that in the thermodynamic limit $N_a^2\rightarrow\infty$ long-range antiferromagnetic order occurs in the spin-density $m=0$ ground state of the half-filled …
We study the half-filled Hubbard model on a one-parameter family of vortex-full square lattices ranging from the isotropic case to weakly coupled Hubbard dimers. The ground-state phase diagram consists of four phases: A semi-metal and a band insulator which are connected to the weak-coupling limit, and a magnetically ordered Néel phase and a valence bond crystal (VBC) which are linked to the strong-coupling Mott limit. The phase diagram is obained by quantum Monte Carlo (QMC) and continuous unitary transformations (CUTs). The CUT is performed in a two-step process: Non-perturbative graph-based…
We numerically study optical conductivity $σ(ω)$ near the "antiferromagnetic" phase transition in the square-lattice Hubbard model at half filling. We use a cluster dynamical mean field theory and calculate conductivity including vertex corrections, and to this end, we have reformulated the vertex corrections in the antiferromagnetic phase. We find that the vertex corrections change various important details in temperature- and $ω$-dependencies of conductivity in the square lattice, and this contrasts sharply the case of the Mott transition in the frustrated triangular lattice. Generally, the …
In this paper the spin configurations of the ground state and one- and two-electron excited states of the Hubbard model on the square lattice are studied. We profit from a general rotated-electron description, which is consistent with the model global $SO(3)\times SO(3)\times U(1)$ symmetry. For rotated electrons, doubly and single occupancy are good quantum numbers for on-site repulsion $U>0$. The above states are within that description generated by occupancy configurations of charge $c$ fermions and spin-singlet two-spinon $s1$ bond particles. Those describe the charge and spin degrees of f…
The wide variety of complex physical behavior exhibited in transition metal oxides, particularly the perovskites A$B$O$_3$, makes them a material family of interest in many research areas, but the drastically different electronic structures possible in these oxides raises challenges in describing them accurately within density functional theory (DFT) and related methods. Here we evaluate the ability of the ACBN0, a recently developed first-principles approach to computing the Hubbard $U$ correction self-consistently, to describe the structural and electronic properties of the first-row transit…
We clarify the ground state phase diagram of the half-filled square-lattice Hubbard model with Rashba spin-orbit coupling (SOC) characterized by the spin-split energy bands due to broken inversion symmetry. Although the Rashba metals and insulating magnets have been studied well, the intermediate interaction strength of the system remained elusive due to the lack of appropriate theoretical tools to unbiasedly describe the large-scale magnetic structures. We complementarily apply four different methods; sine square deformed mean-field theory, random phase approximation, Luttinger-Tisza method, …
We introduce a mean-field and perturbative approach, based on clusters, to describe the ground state of fermionic strongly-correlated systems. In cluster mean-field, the ground state wavefunction is written as a simple tensor product over optimized cluster states. The optimization of the single-particle basis where the cluster mean-field is expressed is crucial in order to obtain high-quality results. The mean-field nature of the ansatz allows us to formulate a perturbative approach to account for inter-cluster correlations; other traditional many-body strategies can be easily devised in terms…
We study a tight-binding model of interacting Majorana (Hermitian) modes on a square lattice. The model may have an experimental realization in a superconducting-film--topological-insulator heterostructure in a magnetic field. We find a rich phase diagram, as a function of interaction strength, including a superfluid phase with spontaneous breaking of an emergent $U(1)$ symmetry, separated by a supersymmetric transition from a gapless normal phase.
We investigate the phase diagram of the square lattice bilayer Hubbard model at half filling with the variational Monte Carlo method for both the magnetic and the paramagnetic case as a function of interlayer hopping t_perp and on-site Coulomb repulsion U. With this study we resolve some discrepancies in previous calculations based on the dynamical mean field theory, and we are able to determine the nature of the phase transitions between metal, Mott insulator and band insulator. In the magnetic case we find only two phases: An antiferromagnetic Mott insulator at small t_perp for any value of …
We calculate the bipartite \Renyi entanglement entropy of an $L\times L\times 2$ bilayer Hubbard model using a determinantal quantum Monte Carlo method recently proposed by Grover [Phys. Rev. Lett. {\bf 111}, 130402 (2013)]. Two types of bipartition are studied: (i) One that divides the lattice into two $L \times L$ planes, and (ii) One that divides the lattice into two equal-size ($L\times L/2\times 2$) bilayers. We compare our calculations with those for the tight-binding model studied by the correlation matrix method. As expected, the entropy for bipartition (i) scales as $L^2$, while the l…
We employ the determinant projector quantum Monte-Carlo method to investigate the ground state magnetic properties in the Mott insulating states of the half-filled SU(4) and SU(6) Fermi-Hubbard model in the 2D square lattice, which is free of the sign problem. The long-range antiferromagnetic Neel order is found for the SU(4) case with a small residual Neel moment. Quantum fluctuations are even stronger in the SU(6) case. Numeric results are consistent with either a vanishing or even weaker Neel ordering than that of SU(4).
In this article, we discuss the non-trivial collective charge excitations (plasmons) of the extended square-lattice Hubbard model. Using a fully non-perturbative approach, we employ the hybrid Monte Carlo algorithm to simulate the system at half-filling. A modified Backus-Gilbert method is introduced to obtain the spectral functions via numerical analytic continuation. We directly compute the single-particle density of states which demonstrates the formation of Hubbard bands in the strongly-correlated phase. The momentum-resolved charge susceptibility is also computed on the basis of the Eucli…
Using a cluster extension of the dynamical mean-field theory (CDMFT) we map out the magnetic phase diagram of the anisotropic square lattice Hubbard model with nearest-neighbor intrachain $t$ and interchain $t_{\perp}$ hopping amplitudes at half-filling. A fixed value of the next-nearest-neighbor hopping $t'=-t_{\perp}/2$ removes the nesting property of the Fermi surface and stabilizes a paramagnetic metal phase in the weak-coupling regime. In the isotropic and moderately anisotropic regions, a growing spin entropy in the metal phase is quenched out at a critical interaction strength by the on…
We study inter-chain pair tunnelling dynamics based on an exact two-particle solution for a two-leg ladder. We show that the Hermitian Hamiltonian shares a common two-particle eigenstate with a corresponding non-Hermitian Hubbard Hamiltonian in which the non-Hermiticity arises from an on-site interaction of imaginary strength. Our results provides that the dynamic processes of two-particle collision and across-legs tunnelling are well described by the effective non-Hermitian Hubbard Hamiltonian based on the eigenstate equivalence. We also find that any common eigenstate is always associated wi…
Emergent magnetism and spin liquids in an extended Hubbard description of moiré bilayers
University of California, Santa Barbara（加州大学圣塔芭芭拉分校）；University of Cologne（科隆大学）；Kavli Institute for Theoretical Physics, University of California, Santa Barbara（加州大学圣塔芭芭拉分校卡弗里理论物理研究所）；French American Center for Theoretical Science, CNRS, KITP, Santa Barbara（法国美国理论科学中心，CNRS，KITP，圣塔芭芭拉）；Canadian Institute for Advanced Research（加拿大高级研究院）；Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory（斯坦福材料能源科学研究所，SLAC国家加速器实验室）
The weak-coupling renormalization group method is an asymptotically exact method to find superconducting instabilities of a lattice model of correlated electrons. Here we extend it to spin-orbit coupled lattice systems and study the emerging superconducting phases of the Rashba-Hubbard model. Since Rashba type spin-orbit coupling breaks inversion symmetry, the arising superconducting phases may be a mixture of spin-singlet and spin-triplet states. We study the two-dimensional square lattice as a paradigm and discuss the symmetry properties of the arising spin-orbit coupled superconducting stat…
The Fermi sign structure plays a crucial role for a Landau's Fermi liquid. In this work, we identify the exact sign structure for the bipartite Hubbard model at an arbitrary strength of the on-site Coulomb repulsion $U$. This general sign structure naturally reproduces the conventional fermion signs in the small $U$ limit, and the phase string signs of the $t$-$J$ model in the large $U$ limit. We focus on the half-filling case as an example to illustrate why such a generic sign structure is important to understand the transition from the weakly correlated Fermi liquid regime to the strongly co…
