We discuss exact plaquette-ordered ground states of the generalized Hubbard model based on the projection operator method for several corner sharing lattices: Kagome, checkerboard, and pyrochlore lattices. The obtained exact ground states are interpreted as Néel ordered states on the plaquette-located electrons. We demonstrate that these models also have exact edge states. We also calculate the entanglement entropy exactly in these systems.
Real-time dynamics techniques have proven increasingly useful in understanding strongly correlated systems both theoretically and experimentally. By employing unbiased time-resolved exact diagonalization, we study pump dynamics in the two-dimensional plaquette Hubbard model, where distinct hopping integrals $t_h$ and $t_h^\prime$ are present within and between plaquettes. In the intermediate coupling regime, a significant enhancement of $d$-wave superconductivity is observed and compared with that obtained by simple examination of expectation values with the eigenstates of the Hamiltonian. Our…
The Hubbard model and its extensions are important microscopic models for understanding high- $T_c$ superconductivity in cuprates. In the model with next-nearest-neighbor hopping $t'$ (the $t'$- Hubbard model), pairing is strongly influenced by $t'$ . In particular, a recent study on a width-4 cylinder observed quasi-long-rage superconducting order, associated with a negative $t'$ , which was taken to imply superconductivity in the two-dimensional (2D) limit. In this work we study more carefully pairing in the width-4 $t'$-Hubbard model. We show that in this specific system, the pairing symmet…
An extended Hubbard model (including nearest-neighbor repulsion and antiferromagnetic spin exchange) is investigated on the frustrated checkerboard lattice, a two-dimensional analog of the pyrochlore lattice. Combining Gutzwiller renormalized mean-field (MF) calculations, exact diagonalization (ED) techniques, and a weak-coupling renormalization group (RG) analysis we provide strong evidence for a crystalline valence bond plaquette phase at quarter-filling. The ground state is twofold degenerate and breaks translation symmetry. The bond energies show a staggering while the charge distribution …
Employing extensive cellular dynamical mean-field theory (CDMFT) calculations with exact diagonalization impurity solver, we investigate the ground state phase diagrams and non-magnetic metal-insulator transitions of the half-filled Hubbard model on two plaquette -- the 1/5 depleted and checkerboard -- square lattices. We identify three different insulators in the phase diagrams: dimer insulator, antiferromagnetic insulator, and plaquette insulator. And we demonstrate that the plaquette insulator is a novel fragile Mott insulator (FMI) which features a nontrivial one-dimensional irreducible re…
We present a method of construction of exact localized many-body eigenstates of the Hubbard model in decorated lattices, both for $U=0$ and $U\rightarrow\infty$. These states are localized in what concerns both hole and particle movement. The starting point of the method is the construction of a plaquette or a set of plaquettes with a higher symmetry than that of the whole lattice. Using a simple set of rules, the tight-binding localized state in such a plaquette can be divided, folded and unfolded to new plaquette geometries. This set of rules is also valid for the construction of a localized…
Motivated by recent quantum gas microscope experiments for fermions in optical lattices, we present proof of principle calculations showing that it is possible to obtain the complete information about the quantum state on a small subsystem from equilibrium determinantal quantum Monte Carlo simulations. Both diagonal (in the occupation number basis) and off-diagonal elements of the reduced density matrix are calculated for a square plaquette, which is embedded in a much larger system of the two-dimensional Hubbard model, both at half filling and in the doped case. The diagonalization of the red…
We have studied a disordered $N_{\rm c} \times N_{\rm c}$ plaquette Hubbard model on a two-dimensional square lattice at half-filling using a coherent potential approximation (CPA) in combination with a single-site dynamical mean field theory (DMFT) approach with a paramagnetic bath. Such a model conveniently interpolates between the ionic Hubbard model at $N_{\rm c}=\sqrt{2}$ and the Anderson model at $N_{\rm c} = \infty$ and enables the analysis of the various limiting properties. We confirmed that within the CPA approach a band insulator behavior appears for non-interacting strongly disorde…
We show the existance of the exact plaquette-ordered ground states of the Hubbard model including site-off-diagonal interactions in arbitrary dimensions, by decomposing the Hamiltonian as sum of products of projection operators for each spin sector. The obtatined exact ground states are interpreted as Néel ordered states on the dual lattices. We demonstrate this idea in the one-dimensional chain and higher-dimensional lattices such as the Kagomé lattice, and determine parameter regions of the exact ground states.
The four-site DCA method of including intersite correlations in the dynamical mean field theory is used to investigate the metal-insulator transition in the Hubbard model. At half filling a gap-opening transition is found to occur as the interaction strength is increased beyond a critical value. The gapped behavior found in the 4-site DCA approximation is shown to be associated with the onset of strong antiferromagnetic and singlet correlations and the transition is found to be potential energy driven. It is thus more accurately described as a Slater phenomenon (induced by strong short ranged …
Gapless edge states are the hallmark of a large class of topological states of matter. Recently, intensive research has been devoted to understanding the physical properties of the edge states at the quantum phase transitions of the bulk topological states. A higher-order symmetry-protected topological state is realized in a plaquette Heisenberg model on the square lattice. In its disordered phase, the lattice with an open boundary hosts either dangling corner states with spin-$1/2$ degeneracy characterizing the topological phase, or nondangling corner states without degeneracy, which depends …
Determinant Quantum Monte Carlo (DQMC) is used to determine the pairing and magnetic response for a Hubbard model built up from four-site clusters -a two-dimensional square lattice consisting of elemental 2x2 plaquettes with hopping $t$ and on-site repulsion $U$ coupled by an inter-plaquette hopping $t' \leq t$. Superconductivity in this geometry has previously been studied by a variety of analytic and numeric methods, with differing conclusions concerning whether the pairing correlations and transition temperature are raised near half-filling by the inhomogeneous hopping or not. For $U/t=4$, …
We establish a way to handle main collective fluctuations in correlated quantum systems based on a Fluctuation Local Field concept. This technique goes beyond standard mean-field approaches, such as Hartree-Fock and dynamical mean-field theories (DMFT), as it includes a fluctuating classical field that acts on the leading order parameter of the system. Effective model parameters of this new theory are determined from the variational principle, which allows to resolve the Fierz ambiguity in decoupling of the local interaction term. In the saddle-point approximation for the fluctuating field our…
Groundstate magnetism of the one-band Hubbard model on the frustrated square lattice where both nearest-neighbour $t_1$ and next-nearest-neighbour $t_2$ hoppings are considered at half-filling are revisited within mean field approximation. Two new magnetic phases are detected at intermediate strength of Hubbard $U$ and relative strong frustration of $t_2/t_1$, named double-stripe and plaquette antiferromagnetic states, both of which are metallic and stable even at finite temperature and electron doping. The nature of the phase transitions between different phases and the properties of the two …
We implement the contractor-renormalization method to study the checkerboard Hubbard model on various finite-size clusters as function of the inter-plaquette hopping t' and the on-site repulsion U at low hole doping. We find that the pair-binding energy and the spin gap exhibit a pronounced maximum at intermediate values of t' and U, thus indicating that moderate inhomogeneity of the type considered here substantially enhances the formation of hole pairs. The rise of the pair-binding energy for t'<t'_max is kinetic-energy driven and reflects the strong resonating valence bond correlations in t…
We investigate the Hubbard chains network model defined on corner-sharing tetrahedra (the pyrochlore lattice) which is a possible microscopic model for the heavy fermion state of LiV_2O_4. Based upon this model, we can explain transport, magnetic, and thermodynamic properties of LiV_2O_4. We calculate the spin susceptibility, and the specific heat coefficient, exploiting the Bethe ansatz exact solution of the 1D Hubbard model and bosonization method. The results are quite consistent with experimental observations. We obtain the large specific heat coefficient $γ\sim 222 {\rm mJ/mol K^2}$.
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…
We study signatures of superconductivity in a 2--leg "checkerboard" Hubbard ladder model, defined as a one--dimensional (period 2) array of square plaquettes with an intra-plaquette hopping $t$ and inter-plaquette hopping $t'$, using the density matrix renormalization group method. The highest pairing scale (characterized by the spin gap or the pair binding energy, extrapolated to the thermodynamic limit) is found for doping levels close to half filling, $U\approx 6t$ and $t'/t \approx 0.6$. Other forms of modulated hopping parameters, with periods of either 1 or 3 lattice constants, are also …
Using large-scale quantum Monte Carlo simulations we show that a spin-$1/2$ XXZ model on a two-dimensional anisotropic Kagome lattice exhibits a tripartite entangled plaquette state that preserves all of the Hamiltonian symmetries. It is connected via phase boundaries to a ferromagnet and a valence-bond solid that break U(1) and lattice translation symmetries, respectively. We study the phase diagram of the model in detail, in particular the transitions to the tripartite entangled plaquette state, which are consistent with conventional order-disorder transitions. Our results can be interpreted…
Using a dynamical cluster quantum Monte Carlo approximation we investigate the d-wave superconducting transition temperature $T_c$ in the doped 2D repulsive Hubbard model with a weak inhomogeneity. The inhomogeneity is introduced in the hoppings $\tp$ and $t$ in the form of a checkerboard pattern where $t$ is the hopping within a $2\times2$ plaquette and $\tp$ is the hopping between the plaquettes. We find inhomogeneity suppresses $T_c$. The characteristic spin excitation energy and the strength of d-wave pairing interaction decrease with decreasing $T_c$ suggesting a strong correlation betwee…
We investigate the bandwidth-controlled Mott transition in the Hubbard model on the checkerboard lattice at half filling using the path-integral renormalization group (PIRG) method. It is demonstrated that the system undergoes a first-order phase transition to the plaquette-singlet insulating phase at a finite Hubbard interaction. This conclusion is drawn via a detailed analysis of the spin and charge correlations around the phase transition point by means of the PIRG method aided with a new iteration scheme introduced in this paper.
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 $t'$. 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 $t'/t$. Close examinations of the effective hopping, the double occupancy, the momentum distribution and the spin/charge correlation functions allow us to determine the phase diagram at zero temperature, where the plaquette-sin…
Ultracold atoms in optical lattice provides a platform to realize the superfluid (SF) state, a quantum order with paired charge-neutral fermions. In this paper, we studied SF state in the twodimensional attractive Hubbard model with pi-flux on each plaquette. The SF state in the pi-flux lattice model suffers very strong quantum fluctuations and the ground state becomes a possible quantum phase liquid state. In this phase, there exists the Cooper pairing together with a finite energy gap for the atoms, but no long range SF phase coherence exists at zero temperature. In addition, we discussed th…
We study a model of strongly correlated S=1/2 fermions on the planar pyrochlore, or checkerboard, lattice, at fractional (1/8) filling. Starting with the extended Hubbard model in the limit of strong Coulomb repulsion, low-energy configurations can be mapped onto hard-core dimer configurations whose dimers carry a spin degree of freedom. An effective Hamiltonian similar to the kinetic term of a quantum dimer model on the square lattice which rotates two parallel dimers (in a spin-singlet configuration) by 90 degrees naturally emerges. We also introduce an additional term in the Hamiltonian, a …
We study the "phase diagram" of a Hubbard plaquette with Rashba spin-orbit coupling. We show that the peculiar way in which Rashba coupling breaks the spin-rotational symmetry of the Hubbard model allows a mixing of singlet and triplet components in the ground-state that slows down and it changes the nature of the Mott transition and of the Mott insulating phases.
The checkerboard lattice, with alternating 'crossed' plaquettes, serves as the two dimensional analog of the pyrochlore lattice. The corner sharing plaquette structure leads to a hugely degenerate ground state, and no magnetic order, for classical spins with short range antiferromagnetic interaction. For the half-filled Hubbard model on this structure, however, we find that the Mott insulating phase involves virtual electronic processes that generate longer range and multispin couplings. These couplings lift the degeneracy, selecting a 'flux like' state in the Mott insulator. Increasing temper…
We present an infinite-dimensional lattice of two-by-two plaquettes, the quadruple Bethe lattice, with Hubbard interaction and solve it exactly by means of the cluster dynamical mean-field theory. It exhibits a $d$-wave superconducting phase that is related to a highly degenerate point in the phase diagram of the isolated plaquette at that the groundstates of the particle number sectors $N=2,3,4$ cross. The superconducting gap is formed by the renormalized lower Slater peak of the correlated, hole-doped Mott insulator. We engineer parts of the interaction and find that pair hoppings between $X…
We consider the Kane-Mele-Hubbard model with a magnetic $π$ flux threading each honeycomb plaquette. The resulting model has remarkably rich physical properties. In each spin sector, the noninteracting band structure is characterized by a total Chern number $C=\pm 2$. Fine-tuning of the intrinsic spin-orbit coupling $λ$ leads to a quadratic band crossing point associated with a topological phase transition. At this point, quantum Monte Carlo simulations reveal a magnetically ordered phase which extends to weak coupling. Although the spinful model has two Kramers doublets at each edge and is ex…
We apply the dynamical mean-field approach to the four-component SU(4)-symmetric Fermi-Hubbard model to study transitions between different magnetically ordered phases as well as the hysteresis behavior in the unordered regime. At quarter filling (one particle per site) on the square lattice we identify both the two-sublattice and plaquette-ordered antiferromagnetic phases with the corresponding entropy-driven hierarchy for critical temperatures. We also analyze the behavior of thermodynamic characteristics: the local double occupancy, compressibility, and entropy per particle, which are relev…
We discuss the exact plaquette-ordered ground states of the generalized Hubbard model on the Kagomé lattice for several fillings, by constructing the Hamiltonian as a sum of products of projection operators for up and down spin sectors. The obtained exact ground states are interpreted as Néel ordered states on the bond-located electrons. We determine several parameter regions of the exact ground states, and calculate the entanglement entropy. We examine the above results by numerical calculations based on exact diagonalization and density-matrix renormalization group methods.
Inspired by our recent works[1, 2] of SU(2) and SU(4) Dirac fermions subjected to plaquette interactions on square lattice, here we extend the large-scale quantum Monte Carlo investigations to the phase digram of correlated Dirac fermions with SU(6) and SU(8) symmetries subjected to the plaquette interaction on the same lattice. From SU(2) to SU(8), the rich phase diagram exhibits a plethora of emerging quantum phases such as the Dirac semimetal, the antiferromagnetic Mott insulator, valence bond solid (VBS) and the Dirac spin liquid and phase transitions including the Gross-Neveu chiral trans…
We consider a Bose-Hubbard ladder subject to an artificial magnetic flux and discuss its different ground states, their physical properties, and the quantum phase transitions between them. A low-energy effective field theory is derived, in the two distinct regimes of a small and large magnetic flux, using a bosonization technique starting from the weak-coupling limit. Based on this effective field theory, the ground-state phase diagram at a filling of one particle per site is investigated for a small flux and for a flux equal to $π$ per plaquette. For $π$-flux, this analysis reveals a tricriti…
With wavefunction-based electronic-structure calculations we determine the Cu d-d excitation energies in quasi-one-dimensional spin-chain and ladder copper oxides. A complete set of local excitations has been calculated for cuprates with corner-sharing (Sr2CuO3 and SrCuO2) and edge-sharing (LiVCuO4, CuGeO3, LiCu2O2 and Li2CuO2) CuO4 plaquettes, with corner-sharing CuF6 octahedra (KCuF3), for the ladder system CaCu2O3, and for multiferroic cupric oxide CuO. Our data compare well with available results of optical absorption measurements on KCuF3 and the excitation energies found by resonant inel…
Chiral Spin Liquid and Quantum Phase Transition in the Triangular Lattice Hofstadter-Hubbard Model
University of California, Berkeley（加州大学伯克利分校）；Center for Computational Quantum Physics, Flatiron Institute（Flatiron Institute计算量子物理中心）；Harvard University（哈佛大学）；Lawrence Berkeley National Laboratory（劳伦斯伯克利国家实验室）；Columbia University（哥伦比亚大学）
Motivated by recent experiment on the Na$_4$Ir$_3$O$_8$ compound we study the Hubbard model on the "hyper-kagome lattice", which forms a three-dimensional network of corner sharing triangles, using dynamical cluster approximation (DCA) method with $N_c$=12 combined with the continuous-time quantum Monte Carlo (CT QMC) method. The system undergoes a Mott transition if the Hubbard interaction $U/W$ ($W$ is the bandwidth) exceeds the value of 1.2 for $T$=0.1 and displays reentrant behavior due to competition between the magnetic correlation and the kinetic energy of electrons due to the geometric…
We present a joint experimental and computational study of the recently synthesized spin 1/2 system silver-copper-orthovanadate AgCuVO4 [A. Möller and J. Jainski, Z. Anorg. Allg. Chem. 634, 1669 (2008)] exhibiting chains of trans corner-sharing [CuO4] plaquettes. The static magnetic susceptibility and specific heat measurements of AgCuVO4 can be described to a good approximation by the Bonner-Fisher spin-chain model with J_intra ~ 330 K. Evidence for a Neel type of order at ~ 2.5 K is obtained from the specific heat and corroborated by ESR studies. To independently obtain a microscopically bas…
Motivated by the recent developments on cluster Mott insulating materials such as the cluster magnet LiZn$_2$Mo$_3$O$_8$, we consider the strong plaquette charge ordered regime of the extended Hubbard model on a breathing Kagome lattice and reveal the properties of the cluster Mottness. The plaquette charge order arises from the inter-site charge interaction and the collective motion of three localized electrons on the hexagon plaquettes. This model leads naturally to a reduction of the local moments by 2/3 as observed in LiZn$_2$Mo$_3$O$_8$. Furthermore, at low temperatures each hexagon plaqu…
The collective spin and charge excitations of doped cuprates and their relationship to superconductivity are not yet fully understood, particularly in the case of the charge excitations. Here, we study the doping-dependent dynamical spin and charge structure factors of single and multi-orbital models for the one-dimensional corner shared spin-chain cuprates using several numerically exact methods. We find that the singleband Hubbard model can describe the spin and charge excitations of the $pd$-model in the low-energy region, including the particle-hole asymmetry in the spin response. However,…
The pyrochlore lattice involves corner sharing tetrahedra and the resulting geometric frustration is believed to suppress any antiferromagnetic order for Mott insulators on this structure. There are nevertheless short-range correlations which could be vital near the Mott-Hubbard insulator-metal transition. We use a static auxiliary-field-based Monte Carlo to study this problem in real space on reasonably large lattices. The method reduces to unrestricted Hartree-Fock at zero temperature but captures the key magnetic fluctuations at finite temperature. Our results reveal that increasing interac…
We study the ground-state phase diagram of the quantum $J_1-J_2$ model on the honeycomb lattice by means of an entangled-plaquette variational ansatz. Values of energy and relevant order parameters are computed in the range $0\le {J_2}/{J_1} \le 1$. The system displays classical order for ${J_2}/{J_1}\lesssim 0.2$ (Néel), and for $J_2/J_1 \gtrsim 0.4$ (collinear). In the intermediate region, the ground-state is disordered. Our results show that the reduction of the half-filled Hubbard model to the model studied here does not yield accurate predictions.
We present a joint experimental and theoretical study of the electronic structure of the cuprate chain systems A_(1-x)CuO_2 (A=Ca,Sr,Ba), as measured using O-K and Cu-L_3 x-ray absorption spectroscopy. The doping-dependent behaviour in these systems is radically different to that in conventional 2D cuprate networks formed from corner sharing CuO_4 plaquettes, and follows from the strongly suppressed inter-plaquette hybridisation resulting from the 90 degree Cu-O-Cu interaction pathway in the chain systems. Spectroscopically, this results in (a) a classical mixed-valent scenario whereby the dif…
We report a detailed study of a model Hamiltonian which exhibits a rich interplay of geometrical spin frustration, strong electronic correlations, and charge ordering. The character of the insulating phase depends on the magnitude of Delta/|t| and on the sign of t. We find a Mott insulator for Delta >> U >> |t|; a charge transfer insulator for U >> Δ>> |t|; and a correlated covalent insulator for U >> Δ~ |t|. The charge transfer insulating state is investigated using a strong coupling expansion. The frustration of the triangular lattice can lead to antiferromagnetism or ferromagnetism dependin…
Unconventional strongly correlated phases of the repulsive Fermi-Hubbard model, which could be emulated by ultracold vapors loaded in optical lattices, are investigated by means of energy minimizations with quantum number projection before variation and without any assumed order parameter. In a tube-like geometry of optical plaquettes to realize the four-leg ladder Hubbard Hamiltonian, we highlight the intertwining of spin-, charge-, and pair-density waves embedded in a uniform d-wave superfluid background. As the lattice filling increases, this phase emerges from homogenous states exhibiting …
The ground-state properties of the two-dimensional Hubbard model with nearest-neighbor and next-nearest-neighbor hoppings at half filling are studied by the path-integral-renormalization-group method. The nonmagnetic-insulator phase sandwiched by the the paramagnetic-metal phase and the antiferromagnetic-insulator phase shows evidence against translational symmetry breaking of the dimerized state, plaquette singlet state, staggered flux state, and charge ordered state. These results support that the genuine Mott insulator which cannot be adiabatically continued to the band insulator is realize…
We explore the kinetic magnetism of the infinite-$U$ repulsive Hubbard models at low hole densities on various lattices with nearest-neighbor hopping integrals modulated by a staggered magnetic flux $\pmϕ$. Tuning $ϕ$ from 0 to $π$ makes the ground state (GS) change from a Nagaoka-type ferromagnetic state to a Haerter-Shastry-type antiferromagnetic state at a critical $ϕ_c$, with both states being of kinetic origin. Intra-plaquette spin correlation, as well as the GS energy, signals such a quantum criticality. This tunable kinetic magnetism is generic, and appears in chains, ladders and two-di…
Within the tensor network framework, the (positive) thermal density operator can be approximated by a double layer of infinite Projected Entangled Pair Operator (iPEPO) coupled via ancilla degrees of freedom. To investigate the thermal properties of the spin-1/2 Heisenberg model on the square lattice, we introduce a family of fully spin-$SU(2)$ and lattice-$C_{4v}$ symmetric on-site tensors (of bond dimensions $D=4$ or $D=7$) and a plaquette-based Trotter-Suzuki decomposition of the imaginary-time evolution operator. A variational optimization is performed on the plaquettes, using a full (for …
SU(N) symmetric fermions on a lattice, which can be realized in ultracold-atom-based quantum simulators, have very promising prospects for realizing exotic states of matter. Here we present the ground state phase diagram of the repulsive SU(3) Hubbard model on a honeycomb lattice at 1/3 filling obtained from infinite projected entangled pair states tensor network calculations. In the strongly interacting limit the ground state has plaquette order. Upon decreasing the interaction strength $U/t$ we find a first order transition at $U/t=7.2(2)$ into a dimerized, color-ordered state, which extends…
