The Hubbard model is a longstanding problem in the theory of strongly correlated electrons and a very active one in the experiments with ultracold fermionic atoms. Motivated by current and prospective quantum simulations, we apply a two-dimensional tensor network, an infinite projected entangled pair state, evolved in imaginary time by the neighborhood tensor update algorithm working directly in the thermodynamic limit. With U(1)xU(1) symmetry and the bond dimensions up to 29, we generate thermal states down to the temperature of 0.17 times the hopping rate. We obtain results for spin and charge correlators, unaffected by boundary effects. The spin correlators, measurable in prospective ultracold atoms experiments attempting to approach the thermodynamic limit, provide evidence of disruption of the antiferromagnetic background with mobile holes in a slightly doped Hubbard model. The charge correlators reveal the presence of hole-doublon pairs near half filling and signatures of hole-hole repulsion on doping. We also obtain specific heat in the slightly doped regime.
We study the off-equilibrium dynamics of the infinite dimensional Bose Hubbard Model after a quantum quench. The dynamics can be analyzed exactly by mapping it to an effective Newtonian evolution. For integer filling, we find a dynamical transition separating regimes of small and large quantum quenches starting from the superfluid state. This transition is very similar to the one found for the fermionic Hubbard model by mean field approximations.
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).
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.
We calculate the zero-temperature gap and quasiparticle weight of the half-filled Hubbard model with a random dispersion relation. After extrapolation to the thermodynamic limit, we obtain reliable bounds on these quantities for the Hubbard model in infinite dimensions. Our data indicate that the Mott-Hubbard transition is continuous, i.e., that the quasiparticle weight becomes zero at the same critical interaction strength at which the gap opens.
We give upper and lower bounds for the ground-state energy of the infinite-U Hubbard model. In two dimensions, using these bounds we are able to rule out the possibility of phase separation between the undoped-insulating state and an hole-rich state.
An iterative procedure for the explicit construction of the nontrivial subspace of all symmetry-adapted configurations with non-zero weight in the ground-state of the infinite-dimensional Hubbard model is developed on the basis of a symmetrized representation of the transition operators on a sequence of Bethe-Lattices of finite depth. The relation ship between these operators and the well known mapping of the infinite-dimensional Hubbard model onto an effective impurity problem coupled to a (self-consistent) bath on non-interacting electrons is given. As an application we calculate the propert…
We present a preliminary discussion on the use of supersymmetric representation of the Hubbard operator which unifies the slave boson and slave fermion representations into a single $U (1)\times SU (1| 1)$ gauge theory to treat the physics of the infinite U Hubbard model. By looking for solutions to the Hamiltonian in which the spins can exist as both condensed ordered moments and as mobile charged carriers, we examine the possibility of a Nagaoka ferromagnetic phase at finite doping with a quantum critical point into the paramagnetic phase.
Using Quantum Monte Carlo we compute thermodynamics and spectra for the orbitally degenerate Hubbard model in infinite spatial dimensions. With increasing orbital degeneracy we find in the one-particle spectra: broader Hubbard bands (consistent with increased kinetic energy), a narrowing Mott gap, and increasing quasi-particle spectral weight. In opposition, Hund's rule exchange coupling decreases the critical on-site Coulomb energy for the Mott transition. The metallic regime resistivity for two-fold degeneracy is quadratic-in-temperature at low temperatures.
We present different numerical calculations based on variational quantum Monte Carlo simulations supporting a ferromagnetic ground-state for finite and small hole densities in the two-dimensional infinite-$U$ Hubbard model. Moreover, by studying the energies of different total spin sectors, these calculations strongly suggest that the paramagnetic phase is unstable against a phase with a partial polarization for large hole densities $δ\sim 0.40$ with evidence for a second-order transition to the paramagnetic large doping phase.
We calculate the one-particle density of states for the Mott-Hubbard insulating phase of the Hubbard model on a Bethe lattice in the limit of infinite coordination number. We employ the Kato-Takahashi perturbation theory around the strong-coupling limit to derive the Green function. We show that the Green function for the lower Hubbard band can be expressed in terms of polynomials in the bare hole-hopping operator. We check our technique against the exact solution of the Falicov-Kimball model and give explicit results up to and including second order in the inverse Hubbard interaction. Our res…
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 zero temperature transition from a paramagnetic metal to a paramagnetic insulator is investigated in the Dynamical Mean Field Theory for the Hubbard model. The self-energy of the effective impurity Anderson model (on which the Hubbard model is mapped) is calculated using Wilson's Numerical Renormalization Group method. Results for quasiparticle weight, spectral function and self-energy are discussed for Bethe and hypercubic lattice. In both cases, the metal-insulator transition is found to occur via the vanishing of a quasiparticle resonance which appears to be isolated from the Hubbard ba…
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…
The infinite U Hubbard model, with exclusion of double occupancy of sites, can be considered as a free orthofermion Hamiltonian which is exactly soluble. It is found that the orthofermion distribution function is similar to the mean number of trapped electrons in an impurity in a semiconductor where the double occupancy of the impurity is forbidden and similar to the distribution function of the usual fermions. In one dimension, the thermodynamics of free orthofermions gives the known exact results of the infinite U Hubbard model. Thus it shows that at least in one dimension the fermions with …
We show that the Gutzwiller variational wave function is surprisingly accurate for the computation of magnetic phase boundaries in the infinite dimensional Hubbard model. This allows us to substantially extend known phase diagrams. For both the half-hypercubic and the hypercubic lattice a large part of the phase diagram is occupied by an incommensurate phase, intermediate between the ferromagnetic and the paramagnetic phase. In case of the hypercubic lattice the three phases join at a new quantum Lifshitz point at which the order parameter is critical and the stiffness vanishes.
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 use non-equilibrium dynamical mean field theory and a real-time diagrammatic impurity solver to study the heating associated with time-dependent changes of the interaction in a fermionic Hubbard model. Optimal ramp shapes U(t) which minimize the excitation energy are determined for an infinitesimal change. For ramp times of a few inverse hoppings, these optimal U(t) are strongly oscillating with a frequency determined by the bandwidth. We show that the scaled versions of the optimized ramps yield substantially lower temperatures than linear ramps even far outside the perturbative regime.
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.
The nature of the Mott-Hubbard metal-insulator transition in the infinite-dimensional Hubbard model is investigated by Quantum Monte Carlo simulations down to temperature T=W/140 (W=bandwidth). Calculating with significantly higher precision than in previous work, we show that the hysteresis below T_{IPT}\simeq 0.022W, reported in earlier studies, disappears. Hence the transition is found to be continuous rather than discontinuous down to at least T=0.325T_{IPT}. We also study the changes in the density of states across the transition, which illustrate that the Fermi liquid breaks down before …
We examine the optical conductivity σ(ω) and the chemical potential μ, together with the spin correlation, in the strong-coupling limit of a hole-doped two-dimensional triangular Hubbard model near half filling by using an exact diagonalization technique. In contrast to the case of a square lattice without frustration, the doping dependences of μand the Drude weight indicate that the charge degree of freedom is weakly coupled to the spin degree of freedom. However, we find that σ(ω) shows strong incoherent excitations extended to a higher energy region. This implies that geometrical frustratio…
The Mott metal-insulator transition in the two-band Hubbard model in infinite dimensions is studied by using the linearized dynamical mean-field theory recently developed by Bulla and Potthoff. The phase boundary of the metal-insulator transition is obtained analytically as a function of the on-site Coulomb interaction at the $d$-orbital, the charge-transfer energy between the $d$- and $p$-orbitals and the hopping integrals between $p-d$, $d-d$ and $p-p$ orbitals. The result is in good agreement with the numerical results obtained from the exact diagonalization method.
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…
An interacting spin-fermion model is exactly solved on an open chain. In a certain representation, it is the nearest-neighbor Hubbard model in the limit of infinite $U$ (local interaction). Exact solution of its complete energy eigen-spectrum is accomplished by introducing a unitary transformation which maps the original problem to a tight-binding model of the fermions only. Physically, the exact solution implies the absence of Nagaoka ferromagnetism in the ground state for arbitrary electron densities. The present method solves a class of very general models exactly. Few more problems are dis…
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…
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…
The mechanism of Mott transition in the Hubbard model on the square lattice is studied without explicit introduction of magnetic and superconducting correlations, using a variational Monte Carlo method. In the trial wave functions, we consider various types of binding factors between a doubly-occupied site (doublon, D) and an empty site (holon, H), like a long-range type as well as a conventional nearest-neighbor type, and add independent long-range D-D (H-H) factors. It is found that a wide choice of D-H binding factor leads to Mott transitions at critical values near the band width. We renew…
We use Brueckner-Goldstone perturbation theory to calculate the ground-state energy of the half-filled Hubbard model in infinite dimensions up to fourth order in the Hubbard interaction. We obtain the momentum distribution as a functional derivative of the ground-state energy with respect to the bare dispersion relation. The resulting expressions agree with those from Rayleigh-Schroedinger perturbation theory. Our results for the momentum distribution and the quasi-particle weight agree very well with those obtained earlier from Feynman-Dyson perturbation theory for the single-particle self-en…
We present an algorithm which combines the quantum trajectory approach to open quantum systems with a density-matrix renormalization group scheme for infinite one-dimensional lattice systems. We apply this method to investigate the long-time dynamics in the Bose-Hubbard model with local particle loss starting from a Mott-insulating initial state with one boson per site. While the short-time dynamics can be described even quantitatively by an equation of motion (EOM) approach at the mean-field level, many-body interactions lead to unexpected effects at intermediate and long times: local particl…
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 calculate the density of states in the half-filled Hubbard model on a Bethe lattice with infinite connectivity. Based on our analytical results to second order in $t/U$, we propose a new `Fixed-Energy Exact Diagonalization' scheme for the numerical study of the Dynamical Mean-Field Theory. Corroborated by results from the Random Dispersion Approximation, we find that the gap opens at $U_{\rm c}=4.43 \pm 0.05$. Moreover, the density of states near the gap increases algebraically as a function of frequency with an exponent $α=1/2$ in the insulating phase. We critically examine other analytica…
We study the interactions between the coherent quasiparticles and the incoherent Mott-Hubbard excitations and their effects on the low energy properties in the $U=\infty$ Hubbard model. Within the framework of a systematic large-N expansion, these effects first occur in the next to leading order in 1/N. We calculate the scattering phase shift and the free energy, and determine the quasiparticle weight Z, mass renormalization, and the compressibility. It is found that the compressibility is strongly renormalized and diverges at a critical doping $δ_c=0.07\pm0.01$. We discuss the nature of this …
We present a full analytical solution of the multiconfigurational strongly-correlated mixed-valence problem corresponding to the $N$-Hubbard ring filled with $N-1$ electrons, and infinite on-site repulsion. While the eigenvalues and the eigenstates of the model are known already, analytical determination of their degeneracy is presented here for the first time. The full solution, including degeneracy count, is achieved for each spin configuration by mapping the Hubbard model into a set of Huckel-annulene problems for rings of variable size. The number and size of these effective Huckel annulen…
We study the second order finite temperature Mott transition point in the fully frustrated Hubbard model at half filling, within Dynamical Mean Field Theory. Using quantum Monte Carlo simulations we show the existence of a finite temperature second order critical point by explicitly demonstrating the existence of a divergent susceptibility as well as by finding coexistence in the low temperature phase. We determine the location of the finite temperature Mott critical point in the (U,T) plane. Our study verifies and quantifies a scenario for the Mott transition proposed in earlier studies (Revi…
We calculate the zero-temperature self-energy to fourth-order perturbation theory in the Hubbard interaction $U$ for the half-filled Hubbard model in infinite dimensions. For the Bethe lattice with bare bandwidth $W$, we compare our perturbative results for the self-energy, the single-particle density of states, and the momentum distribution to those from approximate analytical and numerical studies of the model. Results for the density of states from perturbation theory at $U/W=0.4$ agree very well with those from the Dynamical Mean-Field Theory treated with the Fixed-Energy Exact Diagonaliza…
We consider the real-time evolution of the Hubbard model in the limit of infinite coupling. In this limit the Hamiltonian of the system is mapped into a number-conserving quadratic form of spinless fermions, i.e. the tight binding model. The relevant local observables, however, do not transform well under this mapping and take very complicated expressions in terms of the spinless fermions. Here we show that for two classes of interesting observables the quench dynamics from product states in the occupation basis can be determined exactly in terms of correlations in the tight-binding model. In …
To understand effects of orbital degeneracy on magnetism, in particular effects of Hund's rule coupling, we study the two-orbital Hubbard model on a square lattice by a variational Monte Carlo method. As a variational wave function, we consider a Gutzwiller projected wave function for a staggered spin and/or orbital ordered state. We find a ferromagnetic phase with staggered orbital order around quarter-filling, i.e., electron number n=1 per site, and an antiferromagnetic phase without orbital order around half-filling n=2. In addition, we find that another ferromagnetic phase without orbital …
An infinite projected entangled-pair state (iPEPS) is a variational tensor network ansatz for 2D wave functions in the thermodynamic limit where the accuracy can be systematically controlled by the bond dimension $D$. We show that for the doped Hubbard model in the strongly correlated regime ($U/t=8$, $n=0.875$) iPEPS yields lower variational energies than state-of-the-art variational methods in the large 2D limit, which demonstrates the competitiveness of the method. In order to obtain an accurate estimate of the energy in the exact infinite $D$ limit we introduce and test an extrapolation te…
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…
We analyze the unanalytical structure of metal-insulator transition (MIT) in infinite dimensions. By introducing a simple transformation into the dynamical mean-field equation of Hubbard model, a multiple-valued structure in Green's function and other thermodynamical quantities with respect to the interaction strength $U$ are found at low temperatures. A unified description of stable, metastable and unstable phases is obtained in the regime $U_{c1}(T)<U<U_{c2}(T)$, and the Maxwell construction is performed to evaluate the MIT line $U^{\ast}(T)$. We show how the first-order MIT at $U^{\ast}(T)$…
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 apply the density matrix renormalization group (DMRG) to study the phase diagram of the infinite U Hubbard model on 2-, 4-, and 6-leg ladders. Where the results are largely insensitive to the ladder width, we consider the results representative of the 2D square lattice model. We find a fully polarized ferromagnetic Fermi liquid phase when n, the density of electrons per site, is in the range 1>n>n_F ~ 4/5. For n=3/4 we find an unexpected commensurate insulating "checkerboard" phase with coexisting bond density order with 4 sites per unit cell and block spin antiferromagnetic order with 8 si…
A theory is developed for the T=0 Mott-Hubbard insulating phases of the infinite-dimensional Hubbard model at half-filling, including both the antiferromagnetic (AF) and paramagnetic (P) insulators. Local moments are introduced explicitly from the outset, enabling ready identification of the dominant low energy scales for insulating spin- flip excitations. Dynamical coupling of single-particle processes to the spin-flip excitations leads to a renormalized self-consistent description of the single-particle propagators that is shown to be asymptotically exact in strong coupling, for both the AF …
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…
In this Letter we present a calculation of the one-particle irreducible density matrix $ρ(x)$ for the one-dimensional (1D) Hubbard model in the infinite $U$ limit. We consider the zero temperature spin disordered regime, which is obtained by first taking the limit $U\to \infty$ and then the limit $T\to 0.$ Using the determinant representation for $ρ(x)$ we derive analytical expressions for both large and small $x$ at an arbitrary filling factor $0<\varrho<1/2.$ The large $x$ asymptotics of $ρ(x)$ is found to be remarkably accurate starting from $x\sin(2π\varrho)\sim 1.$ We find that the one-pa…
We study by the strong disorder renormalization group (RG) method the low-energy properties of the one-dimensional Hubbard model with random-hopping matrix-elements $t_{min}<t<t_{max}$, and with random on-site Coulomb repulsion terms $0 \le U_{min}<U<U_{max}$. There are two critical phases, corresponding to an infinite randomness spin random singlet for strong interactions ($U_{min} > t_{max}$) and to an orbital infinite randomness fixed point for vanishing interactions ($U_{max}/t_{max} \to 0$). To each critical infinite randomness fixed point is connected a Griffiths phase, the correlation l…
We study the ferromagnetism due to orbital degeneracy in the Hubbard model in infinite dimensions. The model contains the intraorbital repulsion $U$, the interorbital repulsion $U^\prime$, the exchange $J$ (Hund coupling) and the pair hopping $J^\prime$, where all of them originate from the on-site Coulomb interaction. The ground state of the effective one-site problem was obtained by exact diagonalizations. At the 1/4-filling, we found two insulating phases; one is a ferromagnetic phase with alternating orbital order and the other is antiferromagnetic one with uniform orbital order. If electr…
The Hund coupling in multiorbital Hubbard systems induces spin freezing and associated Hund metal behavior. Using dynamical mean field theory, we explore the effect of local moment formation, spin and charge excitations on the entropy and specific heat of the three-orbital model. In particular, we demonstrate a substantial enhancement of the entropy in the spin-frozen metal phase at low temperatures, and peaks in the specific heat associated with the activation of spin and charge fluctuations at high temperature. We also clarify how these temperature scales depend on the interaction parameters…
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 develop an analytical expression for the self-energy of the infinite-dimensional Hubbard model that is correct in a number of different limits. The approach represents a generalization of the iterative perturbation theory to arbitrary fillings. In the weak-coupling regime perturbation theory to second order in the interaction U is recovered. The theory is exact in the atomic limit. The high-energy behavior of the self-energy up to order (1/E)**2 and thereby the first four moments of the spectral density are reproduced correctly. Referring to a standard strong-coupling moment method, we anal…
