We investigate the charge- and spin dynamical structure factors for the 2D one-band Hubbard model in the strong coupling regime within an extension of the Dynamical Cluster Approximation (DCA) to two-particle response functions. The full irreducible two-particle vertex with three momenta and frequencies is approximated by an effective vertex dependent on the momentum and frequency of the spin/charge excitation. In the spirit of the DCA, the effective vertex is calculated with quantum Monte Carlo methods on a finite cluster. On the basis of a comparison with high temperature auxiliary field quantum Monte Carlo data we show that near and beyond optimal doping, our results provide a consistent overall picture of the interplay between charge, spin and single-particle excitations.
We calculate the Hubbard bands for the half-filled Hubbard model on a Bethe lattice with infinite coordination number up to and including third order in the inverse Hubbard interaction. We employ the Kato--Takahashi perturbation theory to solve the self-consistency equation of the Dynamical Mean-Field Theory analytically for the single-impurity Anderson model in multi-chain geometry. The weight of the secondary Hubbard sub-bands is of fourth order so that the two-chain geometry is sufficient for our study. Even close to the Mott--Hubbard transition, our results for the Mott--Hubbard gap agree …
We study the properties of Floquet prethermal states in two-dimensional Mott-insulating Hubbard clusters under continuous optical excitation. With exact-diagonalization simulations, we show that Floquet prethermal states emerge not only off resonance, but also for resonant excitation, provided a small field amplitude. In the resonant case, the long-lived quasi-stationary Floquet states are characterized by Rabi oscillations of observables such as double occupation and kinetic energy. At stronger fields, thermalization to infinite temperature is observed. We understand these results in terms of…
We develop the variational-cluster-approximation method based on the thermal-pure-quantum-state approach and apply the method to the calculations of the thermodynamic properties of the Hubbard model, thereby obtaining the temperature dependence of the single-particle excitation spectra, entropy and specific heat, and order parameter of the antiferromagnetic phase efficiently. We thus demonstrate that the method developed here has a potential power for elucidating finite-temperature properties of strongly correlated electron systems.
At zero temperature, two-site dynamical mean field theory is applied to the Dynamic Hubbard model. The Dynamic Hubbard model describes the orbital relaxation that occurs when two electrons occupy the same site, by using a two-level boson field at each site. At finite boson frequency, the appearance of a Mott gap is found to be enhanced even though it shows a metallic phase with the same bare on-site interaction $U$ in the conventional Hubbard model. The lack of electron-hole symmetry is highlighted through the quasi-particle weight and the single particle density of states at different filling…
A new slave-spin representation of fermion operators has recently been proposed for the half-filled Hubbard model. We show that with the addition of a gauge variable, the formalism can be extended to finite doping. The resulting spin problem can be solved using the cluster mean-field approximation. This approximation takes short-range correlations into account by exact diagonalization on the cluster, whereas long-range correlations beyond the size of clusters are treated at the mean-field level. In the limit where the cluster has only one site and the interaction strength $U$ is infinite, this…
The Hubbard model is a prototype for strongly correlated electrons in condensed matter, for molecules and fermions or bosons in optical lattices. While the equilibrium properties of these systems have been studied in detail, the excitation and relaxation dynamics following a perturbation of the system are only poorly explored. Here, we present results for the dynamics of electrons following nonlinear strong excitation that are based on a nonequilibrium Green functions approach. We focus on small systems---"Hubbard nano-clusters"---that contain just a few particles where, in addition to the cor…
We have investigated electronic properties of the degenerate multi-orbital Hubbard model, in the limit of large spatial dimension. A new local model, including a doubly degenerate strongly correlated site has been introduced and solved in the framework of the non-crossing approximation (NCA). Mott-Hubbard transitions have been examined in details, including the calculation of Coulomb repulsion critical values and electronic densities of states for any regime of parameters.
The charge spin-separation, pseudogap formation and phase diagrams are studied in two and four site Hubbard clusters using analytical diagonalization and grand canonical ensemble method in a multidimensional parameter space of temperature, magnetic field, on-site Coulomb interaction ($U\ge 0$), and chemical potential. The numerically evaluated, exact expressions for charge and spin susceptibilities provide clear evidence for the existence of true gaps in the ground state and pseudogaps in a limited range of temperature. In particular, Mott-Hubbard type charge crossover, spin pseudogap and magn…
We study the spectral function of the 2D Hubbard model using cluster perturbation theory, and the density matrix renormalization group as a cluster solver. We reconstruct the two-dimensional dispersion at, and away from half-filling using 2xL ladders, with L up to 80 sites, yielding results with unprecedented resolution in excellent agreement with quantum Monte Carlo. The main features of the spectrum can be described with a mean-field dispersion, while kinks and pseudogap traced back to scattering between spin and charge degrees of freedom.
The Dynamical Cluster Approximation with Betts clusters is used to calculate the antiferromagnetic phase diagram of the 3D Hubbard model at half filling. Betts clusters are a set of periodic clusters which best reflect the properties of the lattice in the thermodynamic limit and provide an optimal finite-size scaling as a function of cluster size. Using a systematic finite-size scaling as a function of cluster space-time dimensions, we calculate the antiferromagnetic phase diagram. Our results are qualitatively consistent with the results of Staudt et al. [Eur. Phys. J. B 17 411 (2000)], but r…
We perform a detailed study of the phase transitions and mechanisms of electron localization in the extended Hubbard model using the dynamical cluster approximation on a $2\times 2$ cluster. We explore the interplay of charge order and Mott physics. We find that a nearest-neighbor Coulomb interaction $V$ causes "screening" effects close to the Mott phase transition, pushing the phase boundary to larger values of $U$. We also demonstrate the different effects of $V$ on correlations in metallic and insulating regimes and document the different correlation aspects of charge order and Mott states.
Cluster perturbation theory is a technique for calculating the spectral weight of Hubbard models of strongly correlated electrons, which combines exact diagonalizations on small clusters with strong-coupling perturbation theory at leading order. It is exact in both the strong- and weak-coupling limits and provides a good approximation to the spectral function at any wavevector. Following the paper by Sénéchal et al. (Phys. Rev. Lett. {\bf 84}, 522 (2000)), we provide a more complete description and derivation of the method. We illustrate some of its capabilities, in particular regarding the ef…
Finite lattice models are a prototype for strongly correlated quantum systems and capture essential properties of condensed matter systems. With the dramatic progress in ultracold atoms in optical lattices, finite fermionic Hubbard systems have become directly accessible in experiments, including their ultrafast dynamics far from equilibrium. Here, we present a theoretical approach that is able to treat these dynamics in any dimension and fully includes inhomogeneity effects. The method consists in stochastic sampling of mean-field trajectories and is found to be more accurate and efficient th…
We solve the attractive Hubbard model for arbitrary interaction strengths within dynamical mean-field theory. We compute the transition temperature for superconductivity and analyze electron pairing in the normal phase. The normal state is a Fermi liquid at weak coupling and a non-Fermi liquid state with a spin gap at strong coupling. Away from half-filling, the quasi-particle weight vanishes discontinuously at the transition between the two normal states.
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 the lattice dynamics of antiferromagnetic transition-metal oxides by using self-consistent Hubbard functionals. We calculate the ground states of the oxides with the on-site and intersite Hubbard interactions determined self-consistently within the framework of density functional theory. The on-site and intersite Hubbard terms fix the errors associated with the electron self-interaction in the local and semilocal functionals. Inclusion of the intersite Hubbard terms in addition to the on-site Hubbard terms produces accurate phonon dispersion of the transition-metal oxides. Calculated …
We perform time-resolved exact diagonalization of the Hubbard model with time dependent hoppings on small clusters of up to $12$ sites. Here, the time dependence originates from a classic electromagnetic pulse, which mimics the impact of a photon. We investigate the behavior of the double occupation and spectral function after the pulse for different cluster geometries and on-site potentials. We find impact ionization in all studied geometries except for one-dimensional chains. Adding next-nearest neighbor hopping to the model leads to a significant enhancement of impact ionization, as does di…
We perform exact numeric calculations for the two-orbital Hubbard model on the four-site cluster. In the limit of large on-site coupling the model becomes equivalent to the spin $S=1$ Heisenberg model. By comparing energy spectra of these two models, we quantified the range of interaction parameters for which the Heisenberg model satisfactorily reproduces the two-orbital Hubbard model. Then we examined how the spectrum evolves when we are outside of this region, focusing especially on checking of how it is modified when various ways of interatomic hoppings of electrons between different orbita…
We present a generalization of the recently proposed variational cluster perturbation theory to extended Hubbard models at half filling with repulsive nearest neighbor interaction. The method takes into account short-range correlations correctly by the exact diagonalisation of clusters of finite size, whereas long-range order beyond the size of the clusters is treated on a mean-field level. For one dimension, we show that quantum Monte Carlo and density-matrix renormalization-group results can be reproduced with very good accuracy. Moreover we apply the method to the two-dimensional extended H…
The DCA$^+$ algortihm was recently introduced to extend the dynamic cluster approximation (DCA) with a continuous lattice self-energy in order to achieve better convergence with cluster size. Here we extend the DCA$^+$ algorithm to the calculation of two-particle correlation functions by introducing irreducible vertex functions with continuous momentum dependence consistent with the DCA$^+$ self-energy. This enables a significantly more controlled and reliable study of phase transitions than with the DCA. We test the new method by calculating the superconducting transition temperature $T_{c}$ …
The one-dimensional Hubbard model is investigated by means of two different cluster schemes suited to introduce short-range spatial correlations beyond the single-site Dynamical Mean-Field Theory, namely the Cluster-Dynamical Mean-Field Theory and its periodized version. It is shown that both cluster schemes are able to describe with extreme accuracy the evolution of the density as a function of the chemical potential from the Mott insulator to the metallic state. Using exact diagonalization to solve the cluster impurity model, we discuss the role of the truncation of the Hilbert space of the …
Metal-insulator transitions in the paramagnetic phase of the two dimensional square lattice Hubbard model are studied using the dynamical cluster approximation with eight momentum cells. We show that both the interaction-driven and the doping-driven transition are multi-stage and momentum-sector specific, with Fermi liquid metal and fully gapped insulator phases separated by an intermediate phase in which some regions of the Brillouin zone are gapped while others sustain gapless quasiparticles. We argue that this is the coarse-grained version of a gradually shrinking arc or pocket. A pronounce…
We compute the dynamical charge susceptibility in the two-dimensional Hubbard model within the dynamical cluster approximation. In order to understand the connection between charge susceptibility and pseudogap, we investigate the momentum, doping, and temperature dependence. We find that as a function of frequency, the dynamical charge susceptibility is well represented by a single peak at a characteristic frequency. It shows little momentum or temperature dependence, while the doping dependence is more evident, and no clear signature of the pseudogap is observed. Data for the doping evolution…
In this paper, the possibility to construct a path integral formalism by using the Hubbard operators as field dynamical variables is investigated. By means of arguments coming from the Faddeev-Jackiw symplectic Lagrangian formalism as well as from the Hamiltonian Dirac method, it can be shown that it is not possible to define a classical dynamics consistent with the full algebra of the Hubbard $X$-operators. Moreover, from the Faddeev-Jackiw symplectic algorithm, and in order to satisfy the Hubbard $X$-operators commutation rules, it is possible to determine the number of constraint that must …
The 2D half-filled Hubbard model is studied by a nonperturbative analytic theory of correlator projection. The original dynamical mean-field approximation (DMFA) is reproduced at the first-order projection and then improved by systematic inclusion of spatial correlations at higher orders. A geometrical frustration induces a first-order Mott transition surface with a finite-temperature critical end curve. Growth of antiferromagnetic correlations gives single-particle spectra strongly modified from DMFA with shadow bands and flat dispersions observed in high-T_c cuprates.
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 study the Hubbard-Holstein model, which includes both the electron-electron and electron-phonon interactions characterized by $U$ and $g$, respectively, employing the dynamical mean-field theory combined with Wilson's numerical renormalization group technique. A zero temperature phase diagram of metal-insulator and insulator-insulator transitions at half-filling is mapped out which exhibits the interplay between $U$ and $g$. As $U$ ($g$) is increased, a metal to Mott-Hubbard insulator (bipolaron insulator) transition occurs, and the two insulating states are distinct and can not be adiabati…
We analyze the normal phase of the attractive Hubbard model within dynamical mean-field-theory. We present results for the pair-density, the spin-susceptibility, the specific heat, the momentum distribution, and for the quasiparticle weight. At weak coupling the low-temperature behavior of all quantities is consistent with Fermi liquid theory. At strong coupling all electrons are bound pairs, which leads to a spin gap and removes fermionic quasi-particle excitations. The transition between the Fermi liquid phase and the pair phase takes place at a critical coupling of the order of the band-wid…
We consider dynamical spin-spin correlation functions in the one dimensional repulsive half-filled Hubbard model. We propose an exact expression for the two spinon formfactor of spin operators. We use this to derive the two spinon contribution to the dynamical structure factor.
We study the electronic state of the doped Mott-Hubbard insulator within Dynamical Mean Field Theory. The evolution of the finite temperature spectral functions as a function of doping show large redistributions of spectral weight in both antiferromagnetic and paramagnetic phases. In particular, a metallic antiferromagnetic state is obtained with a low frequency Slater-splitted quasiparticle peak coexisting with Hubbard bands. In the high temperature paramagnetic metallic phase, upon reducing doping, the system has a crossover through a ``bad metal'' state characterized by an anomalous shift o…
We investigate dynamical symmetry enlargement in the half-filled SU(4) Hubbard chain using non-perturbative renormalization group and Quantum Monte Carlo techniques. A spectral gap is shown to open for arbitrary Coulombic repulsion $U$. At weak coupling, $U \lesssim 3t$, a SO(8) symmetry between charge and spin-orbital excitations is found to be dynamically enlarged at low energy. At strong coupling, $U \gtrsim 6t$, the charge degrees of freedom dynamically decouple and the resulting effective theory in the spin-orbital sector is that of the SO(6) antiferromagnetic Heisenberg model. Both regim…
We have implemented the dynamical vertex approximation (D$Γ$A) in its full parquet-based version to include spatial correlations on all length scales and in {\sl all} scattering channels. The algorithm is applied to study the electronic self-energies and the spectral properties of finite-size one-dimensional Hubbard models with periodic boundary conditions (nanoscopic Hubbard rings). From a methodological point of view, our calculations and their comparison to the results obtained within dynamical mean-field theory, plain parquet approximation, and the exact numerical solution, allow us to eva…
We present a numerical study of the charge dynamical structure factor N(k,omega) of a one-dimensional (1D) ionic Hubbard model in the Mott insulator phase. We show that the low-energy spectrum of N(k,omega) is expressed in terms of the spin operators for the spin degrees of freedom. Numerical results of N(k,omega) for the spin degrees of freedom, obtained by the Lanczos diagonalization method, well reproduce the low-energy spectrum of N(k,omega) of the 1D ionic Hubbard model. In addition, we show that these spectral peaks probe the dispersion of the spin-singlet excitations of the system and a…
We compute the frequency dependent conductivity of the two dimensional square lattice Hubbard model at zero temperature as a function of density to second order in the interaction strength, and compare the results to the predictions of single-site dynamical mean field theory computed at the same order. We find that despite the neglect of vertex corrections, the single site dynamical mean field approximation produces semiquantitatively accurate results for most carrier concentrations, but fails qualitatively for the nearly empty or nearly filled band cases where the theory exhibits an emergent …
We present a numerical solution of the parquet approximation (PA), a conserving diagrammatic approach which is self-consistent at both the single-particle and the two-particle levels. The fully irreducible vertex is approximated by the bare interaction thus producing the simplest approximation that one can perform with the set of equations involved in the formalism. The method is applied to the Hubbard model on a half-filled 4x4 cluster. Results are compared to those obtained from Determinant Quantum Monte Carlo (DQMC), FLuctuation EXchange (FLEX), and self-consistent second-order approximatio…
In the hole-doped cuprates, the pseudogap refers to a suppression of the density of states at low energies, in the absence of superconducting long-range order. Numerous calculations of the Hubbard model show a pseudogap in the single-particle spectra, with striking similarities to photoemission and tunneling experiments on cuprates. However, no clear mechanism has been established. Here, we solve the Hubbard model on $2\times2$ clusters by exact diagonalization, with integration over twisted boundary conditions. A pseudogap is found in the single-particle density of states with the following c…
The spectra and role in the spin dynamical properties of bound states of elementary magnetic excitations named Bethe strings that occur in some integrable spin and electronic one-dimensional models have recently been identified and realized in several materials by experiments. Corresponding theoretical studies have usually relied on the one-dimensional spin-1/2 Heisenberg antiferromagnet in a magnetic field. At the isotropic point, it describes the large onsite repulsion U limit of the spin degrees of freedom of the one-dimensional fermionic Hubbard model with one electron per site in a magnet…
We calculate the spectral weight of the one- and two-dimensional Hubbard models, by performing exact diagonalizations of finite clusters and treating inter-cluster hopping with perturbation theory. Even with relatively modest clusters (e.g. 12 sites), the spectra thus obtained give an accurate description of the exact results. Thus, spin-charge separation (i.e. an extended spectral weight bounded by singularities) is clearly recognized in the one-dimensional Hubbard model, and so is extended spectral weight in the two-dimensional Hubbard model.
We apply the approximate analytic methods to the investigation of the band structure of the asymmetric Hubbard model where the chemical potentials and electron transfer parameters depend on the electron spin (type of quasiparticles). The Hubbard-I and alloy-analogy approximations are the simplest approximations which are used. Within the alloy-analogy approximation, the energy band of particles does not depend on the transfer parameter of particles of another sort. It means that the gap in the spectrum opens at the critical value $U_{c}$ that is the same in two different limiting cases: the Fa…
We study the two-band Hubbard model introduced by Fu and Doniach as a model for FeSi which is suggested to be a Kondo insulator. Using the self-consistent second-order perturbation theory combined with the local approximation which becomes exact in the limit of infinite dimensions, we calculate the specific heat, the spin susceptibility and the dynamical conductivity and point out that the reduction of the energy gap due to correlation is not significant in contrast to the previous calculation. It is also demonstrated that the gap at low temperatures in the optical conductivity is filled up at…
The cluster slave-spin method is introduced to systematically investigate the solutions of the Hubbard model including the symmetry-broken phases. In this method, the electron operator is factorized into a fermioninc spinon describing the physical spin and a slave-spin describing the charge fluctuations. Following the $U(1)$ formalism derived by Yu and Si [Phys. Rev. B 86, 085104 (2012)], it is shown that the self-consistent equations to explore various symmetry-broken density wave states can be constructed in general with a cluster of multiple slave-spin sites. We employ this method to study …
Noncollinear magnetic states in clusters are studied by using the single-band Hubbard Hamiltonian. The unrestricted Hartree-Fock (UHF) approximation is considered without imposing any symmetry constraints neither to the size or orientation of the local magnetic moments $<\vec S_l>$ nor to the local charge densities $<n_l>$. A variety of qualitatively different selfconsistent solutions is obtained as a function of cluster size, structure, number of valence electrons $ν$ and Coulomb interaction strength $U/t$. This includes inhomogeneous density distributions, paramagnetic solutions, magnetic so…
We explore the use of exact diagonalization methods for solving the self consistent equations of the cellular dynamical mean field theory (CDMFT) for the one dimensional regular and extended Hubbard models. We investigate the nature of the Mott transition and convergence of the method as a function of cluster size as well as the optimal allocation of computational resources between bath and `cluster-impurity' sites, with a view to develop a renormalization group method in higher dimensions. We assess the performance of the method by comparing results for the Green's functions in both the spin …
We obtain the phase-diagram of the half-filled honeycomb Hubbard model with density matrix embedding theory, to address recent controversy at intermediate couplings. We use clusters from 2-12 sites and lattices at the thermodynamic limit. We identify a paramagnetic insulating state, with possible hexagonal cluster order, competitive with the antiferromagnetic phase at intermediate coupling. However, its stability is strongly cluster and lattice size dependent, explaining controver- sies in earlier work. Our results support the paramagnetic insulator as being a metastable, rather than a true, i…
The ground-state properties of C$_{20}$ fullerene clusters are determined in the framework of the Hubbard model by using lattice density-functional theory (LDFT) and scaling approximations to the interaction-energy functional. Results are given for the ground-state energy, kinetic and Coulomb energies, local magnetic moments, and charge-excitation gap, as a function of the Coulomb repulsion $U/t$ and for electron or hole doping $δ$ close half-band filling ($|δ| \le 1$). The role of electron correlations is analyzed by comparing the LDFT results with fully unrestricted Hartree-Fock (UHF) calcul…
The anisotropic two-orbital Hubbard model with different bandwidths and degrees of frustration in each orbital is investigated in the framework of both single-site dynamical mean-field theory (DMFT) as well as its cluster extension (DCA) for clusters up to four sites combined with a continuous-time quantum Monte Carlo algorithm. This model shows a rich phase diagram which includes the appearance of orbital selective phase transitions, non-Fermi liquid behavior as well as antiferromagnetic metallic states. We discuss the advantages and drawbacks of employing the single-site DMFT with respect to…
We investigate the properties of the frustrated underdoped Hubbard model on the square lattice using two complementary approaches, the dynamical cluster extension of dynamical mean field theory, and variational Monte Carlo simulations of Gutzwiller-Jastrow wavefunctions with backflow corrections. We compare and discuss data for the energy and the double occupancies, as obtained from both approaches. At small dopings, we observe a rapid crossover from a weakly correlated metal at low interaction strength U to a non-Fermi liquid correlated state with strong local spin correlations. Furthermore, …
We have studied electron correlations in the doped two-dimensional (2D) Hubbard model by using the coupled-cluster method (CCM) to investigate whether or not the method can be applied to correct the independent particle approximations actually used in ab-initio band calculations. The double excitation version of the CCM, implemented using the approximate coupled pair (ACP) method, account for most of the correlation energies of the 2D Hubbard model in the weak ($U/t \simeq 1$) and the intermediate $U/t$ regions ($U/t \simeq 4$). The error is always less than 1% there. The ACP approximation get…
We employ dynamical mean field theory (DMFT) with a Quantum Monte Carlo (QMC) atomic solver to investigate the finite temperature Mott transition in the Hubbard model with the nearest neighbor hopping on a triangular lattice at half-filling. We estimate the value of the critical interaction to be $U_c=12.0 \pm 0.5$ in units of the hopping amplitude $t$ through the evolution of the magnetic moment, spectral function, internal energy and specific heat as the interaction $U$ and temperature $T$ are varied. This work also presents a comparison between DMFT and finite size determinant Quantum Monte…
Recently, diagrammatic extensions of dynamical mean field theory (DMFT) have been proposed for including short- and long-range correlations beyond DMFT on an equal footing. We employ one of these, the dynamical vertex approximation (D$Γ$A), and study the two-dimensional Hubbard model on a square lattice. We define two transition lines in the phase diagram which correspond, respectively, to the opening of the gap in the nodal direction and throughout the Fermi surface. Our self-energy data show that the evolution between the two regimes occurs in a gradual way (crossover) and also that at low e…
Based on dynamical cluster approximation (DCA) quantum Monte Carlo simulations, we study the interaction-driven Mott metal-insulator transition (MIT) in the half-filled Hubbard model on the anisotropic two-dimensional triangular lattice, where the degree of frustration is varied between the unfrustrated case and the fully frustrated, isotropic triangular lattice. Upon increasing the DCA cluster size, we analyze the evolution of the MIT phase boundary as a function of frustration in the phase diagram spanned by the interaction strength and temperature, and provide a quantitative description of …
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…
We study the charge-density-wave order and its competition with superconductivity in the one-band Hubbard model for high-$T_c$ superconducting cuprates. We use cluster dynamical mean field theory (CDMFT) at $T=0$. The one-band Hubbard model only contains copper atoms, and a physical charge-density-wave with charge excesses located on the oxygen atoms manifests itself as a bond-density-wave (BDW) within this context. It arises purely out of local correlation effects and also leads to a $s'$-wave pair-density-wave in the presence of $d$-wave superconductivity. The $d$-wave BDW is suppressed on i…
The Mott-Hubbard metal-insulator transition is studied within a simplified version of the Dynamical Mean-Field Theory (DMFT) in which the coupling between the impurity level and the conduction band is approximated by a single pole at the Fermi energy. In this approach, the DMFT equations are linearized, and the value for the critical Coulomb repulsion U_{\rm c} can be calculated analytically. For the symmetric single-band Hubbard model at zero temperature, the critical value is found to be given by 6 times the square root of the second moment of the free (U=0) density of states. This result is…
In order to resolve the long-standing issue of how the itinerant ferromagnetism is affected by the lattice structure and Hund's coupling, we have compared various three-dimensional lattice structures in the single- and multiorbital Hubbard models with the dynamical mean-field theory with an improved quantum Monte Carlo algorithm that preserves the spin-SU(2) symmetry. The result indicates that {\it both} the lattice structure and the d-orbital degeneracy are essential for the ferromagnetism in the parameter region representing a transition metal. Specifically, (a) Hund's coupling, despite the …
We investigate the dynamical spin and charge structure factors and the one-particle spectral function of the one-dimensional extended Hubbard model at half band-filling using the dynamical density-matrix renormalization group method. The influence of the model parameters on these frequency- and momentum-resolved dynamical correlation functions is discussed in detail for the Mott-insulating regime. We find quantitative agreement between our numerical results and experiments for the optical conductivity, resonant inelastic X-ray scattering, neutron scattering, and angle-resolved photoemission sp…
The CuO-planes of high-T_c superconductors were found to consist of geometric stripes with alternating superconducting and antiferromagnetic areas. Here we will investigate the repulsive Hubbard model of striped clusters as a possible microscopic description of the superconducting elements. The focus of our attention lies on the superconducting properties. We report in agreement with the square Hubbard model a signal in the d-wave channel and investigate its dependence on system size, cluster shape and interaction strength.
