One of the fundamental questions about the high temperature cuprate superconductors is the size of the Fermi surface (FS) underlying the superconducting state. By analyzing the single particle spectral function for the Fermi Hubbard model as a function of repulsion $U$ and chemical potential $μ$, we find that the Fermi surface in the normal state reconstructs from a large Fermi surface matching the Luttinger volume as expected in a Fermi liquid, to a Fermi surface that encloses fewer electrons that we dub the "Luttinger Breaking" (LB) phase, as the Mott insulator is approached. This transition into a non-Fermi liquid phase that violates the Luttinger count, is a continuous phase transition at a critical density in the absence of any other broken symmetry. We obtain the Fermi surface contour from the spectral weight $A_{\vec{k}}(ω=0)$ and from an analysis of the poles and zeros of the retarded Green's function $G_{\vec{k}}^{ret}(E=0)$, calculated using determinantal quantum Monte Carlo and analytic continuation methods.We discuss our numerical results in connection with experiments on Hall measurements, scanning tunneling spectroscopy and angle resolved photoemission spectroscopy.
We propose that spin-fluctuation-mediated spin-triplet superconductivity may be realized in repulsive Hubbard models with disconnected Fermi surfaces. The idea is confirmed for Hubbard models on triangular (dilute band filling) and honeycomb (near half-filling) lattices using fluctuation exchange approximation, where triplet pairing order parameter with f-wave symmetry is obtained. Possible relevance to real superconductors is suggested.
We suggest that box shape trap enables to observe intrinsic properties of the repulsive Hubbard model in a fixed doping in contrast to the harmonic trap bringing about spatial variations of atom density profiles. In order to predict atomic density profile under the box trap, we apply the directly-extended density-matrix renormalization group method to 4-leg repulsive Hubbard model with the open boundary condition. Consequently, we find that stripe formation is universal in a low hole doping range and the stripe sensitively changes its structure with variations of $U/t$ and the doping rate. A r…
We study the dynamical behavior of doped electronic systems subject to a global ramp of the repulsive Hubbard interaction. We start with formulating a real-time generalization of the fluctuation-exchange approximation. Implementing this numerically, we investigate the weak-coupling regime of the Hubbard model both in the electron-doped and hole-doped regimes. The results show that both local and nonlocal (momentum-dependent) observables evolve toward a thermal state, although the temperature of the final state depends on the ramp duration and the chemical doping. We further reveal a momentum-d…
Using recent advances in auxiliary-field quantum Monte Carlo techniques and the phaseless approximation to control the sign/phase problem, we determine the equation of state in the ground state of the two-dimensional repulsive single-band Hubbard model at intermediate interactions. Shell effects are eliminated and finite-size effects are greatly reduced by boundary condition integration. Spin-spin correlation functions and structure factors are also calculated. In lattice sizes up to $16\times 16$, the results show signal for phase-separation. Upon doping, the system separates into one phase o…
The parquet equations are a self-consistent set of equations for the effective two-particle vertex of an interacting many-fermion system. The application of these equations to bulk models is, however, demanding due to the complex emergent momentum and frequency structure of the vertex. Here, we show how a channel-decomposition by means of truncated unities, which was developed in the context of the functional renormalization group to efficiently treat the momentum dependence, can be transferred to the parquet equations. This leads to a significantly reduced numerical effort scaling only linear…
We study the two-dimensional repulsive Hubbard model by functional RG methods, using our recently proposed channel decomposition of the interaction vertex. The main technical advance of this work is that we calculate the full Matsubara frequency dependence of the self-energy and the interaction vertex in the whole frequency range without simplifying assumptions on its functional form, and that the effects of the self-energy are fully taken into account in the equations for the flow of the two-body vertex function. At Van Hove filling, we find that the Fermi surface deformations remain small at…
We contrast the transport properties (dc resistivity, Seebeck coefficient), optical conductivity, spectral functions, dynamical magnetic susceptibility, and the NMR $1/T_1$ spin-lattice relaxation rate of the repulsive and attractive infinite-dimensional Hubbard models in the paramagnetic phase for a generic band filling. The calculations are performed in a wide temperature interval using the dynamical mean-field theory with the numerical renormalization group as the impurity solver. The attractive case exhibits significantly more complex temperature dependences which can be explained by the b…
We study the conditions under which, using a canonical transformation, the phases sought after for the repulsive Hubbard model, namely a Mott insulator in the paramagnetic and anti-ferromagnetic phases, and a putative d-wave superfluid can be deduced from observations in an optical lattice loaded with a spin-imbalanced ultra-cold Fermi gas with attractive interactions, thus realizing the attractive Hubbard model. We show that the Mott insulator and antiferromagnetic phase of the repulsive Hubbard model are in fact more easy to observe as a paired, and superfluid phase respectively, in the attr…
Possibility of superconductivity from electron repulsion in the Shastry-Sutherland lattice, which has a spin gap at half filling, is explored with the repulsive Hubbard model in the fluctuation-exchange approximation. We find that, while superconductivity is not favored around the half-filling, superconductivity is favored around the quarter-filling. Our results suggest that the Fermi surface nesting is more important than the spin dimerization for superconductivity.
The properties of a phase at finite interactions can be significantly influenced by the underlying dispersion of the non-interacting Hamiltonian. We demonstrate this by studying the repulsive Hubbard model on the $2$D Lieb lattice, which has a flat band for vanishing interaction $U$. We perform real-space dynamical mean-field theory calculations at different temperatures and dopings using a continuous time quantum Monte Carlo impurity solver. Studying the frequency dependence of the self-energy, we show that a finite temperature non-magnetic non-Fermi liquid behavior is a concomitant of the fl…
We study two-component fermions in optical lattices with spatially alternating on-site interactions using dynamical mean-field theory. Calculating the quasi-particle weight, double occupancy, and order parameters for each sublattice, we discuss the low-temperature properties of the system. When both interactions are repulsive, the magnetically ordered state is realized at half-filling. In the attractive case, the superfluid state is, in general, realized with a particle number imbalance. On the other hand, when repulsive and attractive interactions are comparable in the half-filled system, the…
Magnetic and charge susceptibilities of the two-dimensional repulsive Hubbard model are investigated applying a strong coupling diagram technique in which the expansion in powers of the hopping constants is used. For small lattices and high temperatures results are in agreement with Monte Carlo simulations. With the departure from half-filling $x$ the low-frequency magnetic susceptibility becomes incommensurate and the incommensurability parameter grows with $x$. The incommensurability, its dependence on frequency and on $x$ resemble experimental results in lanthanum cuprates. Also for finite …
The two-dimensional repulsive Hubbard model has been investigated by a variety of methods, from small to large U. Superconductivity with d-wave symmetry is consistently found close to half filling. After a brief review of the various methods a variational many-electron state is discussed in more detail. This trial state is a natural extension of the Gutzwiller ansatz and provides a substantial improvement thereof.
Some exact results are given, that connect, for a general magnitude of the interaction term $U$, the repulsive and attractive Hubbard model, in terms of the eigenspectra and quantum diffusion properties. In particular, it is shown that, for some initial conditions, the quantum evolution cannot differenciate between the attractive and repulsive models. These results apply to both fermionic and bosonic models, in any dimension and for general filling, as far as the underlying structure is bipartite.
A new method for estimating the parameter ensuring the fulfillment of the Mermin-Wagner theorem in the strong coupling diagram technique (SCDT) for the two-dimensional Hubbard model is suggested. With the precise parameter value, calculated magnetic quantities are in good agreement with the results of numeric and optical-lattice experiments. Obtained spin and charge vertices are used for investigating superconductivity in the $t$-$U$ and $t$-$t'$-$t"$-$U$ Hubbard models in the regime of strong correlations. We found no superconducting transition in the $t$-$U$ model. In the $t$-$t'$-$t"$-$U$ m…
We study mesoscopic pairing in the one dimensional repulsive Hubbard model and its interplay with the BCS model in the canonical ensemble. The key tool is comparing the Bethe ansatz equations of the two models in the limit of small Coulomb repulsion. For the ordinary Hubbard interaction the BCS Bethe equations with infinite pairing coupling are recovered; a finite pairing is obtained by considering a further density-dependent phase-correlation in the hopping amplitude of the Hubbard model. We find that spin degrees of freedom in the Hubbard ground state are arranged in a state of the BCS type,…
We consider the antiferromagnetic Heisenberg and the repulsive Hubbard model on two $N$-site one-dimensional lattices, which support dispersionless one-particle states corresponding to localized states on triangular trapping cells. We calculate the degeneracy of the ground states in the subspaces with $n\le n_{\max}$, $n_{\max}\propto N$ magnons or electrons as well as the contribution of these states (independent localized states) to thermodynamic quantities. Moreover, we discuss another class of low-lying eigenstates (so-called interacting localized states) and calculate their contribution t…
We study a three-dimensional single-band repulsive Hubbard model at weak coupling. We establish the superconducting phase diagram in the parameter space of the chemical potential and the out-of-plane hopping strength. The model continuously connects the Hubbard model in two and three dimensions. We confirm previously-established results in these limits, and identify a rich structure of competing order parameters in between. Specifically, we find five types of $p$- and $d$-wave orders. In several regions of the phase diagram, even when the Fermi surface is a corrugated cylinder, the ground stat…
The repulsive Fermi Hubbard model on the square lattice has a rich phase diagram near half-filling (corresponding to the particle density per lattice site $n=1$): for $n=1$ the ground state is an antiferromagnetic insulator, at $0.6 < n \lesssim 0.8$, it is a $d_{x^2-y^2}$-wave superfluid (at least for moderately strong interactions $U \lesssim 4t$ in terms of the hopping $t$), and the region $1-n \ll 1$ is most likely subject to phase separation. Much of this physics is preempted at finite temperatures and to an extent driven by strong magnetic fluctuations, their quantitative characteristics…
Based on representations of the symmetric group $S_N$, explicit and exact Schrödinger equation is derived for $U=\infty$ Hubbard model in any dimensions with arbitrary number of holes, which clearly shows that during the movement of holes the spin background of electrons plays an important role. Starting from it, at T=0 we have analyzed the behaviour of the system depending on the dimensionality and number of holes. Based on the presented formalism thermodynamic quantities have also been expressed using a loop summation technique in which the partition function is given in terms of characters …
Motivated by the stripe developments in cuprates, we review some analytical results of our studies of the charge- and spin density modulations (CDW and SDW) in a weakly coupled one dimensional repulsive electron system on a lattice. It is shown that close to half filling, in the high temperature regime above the mean field transition temperature, short range repulsions favor charge density fluctuations with wave vectors bearing special relations with those of the spin density fluctuations. In the low temperature regime, not only the wave vectors, but also the mutual phases of the CDW and SDW b…
We study the formation of charge density waves (CDW's) in one-dimensional Hubbard superlattices, modeled by a repeated pattern of repulsive (U>0) and free (U=0) sites. By means of Lanczos diagonalizations for the ground state, we calculate the charge structure factor. Our results show that while the superlattice structure affects the modulation of the charge density waves, the periodicity can still be predicted through an effective density. We also show that, for a fixed repulsive layer thickness, the periodicity of the CDW is an oscillatory function of the free layer thickness.
We propose a mechanism of superconductivity from purely repulsive interactions in the strong coupling regime, where the BCS (Bardeen-Cooper-Schrieffer) mechanism such as the spin-fluctuation approach is difficult to apply. Based on the SU(2) slave-rotor representation of the Hubbard model, we find that the single energy scale for the amplitude formation of Cooper pairs and their phase coherence is separated into two energy scales, allowing the so called pseudogap state where such Cooper pairs are coherent locally but not globally, interpreted as realization of the density-phase uncertainty pri…
We investigate the phase diagram of the one-dimensional repulsive Hubbard model with mass imbalance. Using DMRG, we show that this model has a "triplet" paired phase (dubbed $π\mathrm{SG}$) at generic fillings, consistent with previous theoretical analysis. We study the topological aspect of $π\mathrm{SG}$ phase, determining long-range string orders and the filling anomaly which refers to the relation among the single particle gap, inversion symmetry, and filling imbalance for open chains. We also find, using DMRG, that at $1/3$ filling, commensurate effects lead to two additional phases: a cr…
The cluster size dependence of superconductivity in the conventional two-dimensional Hubbard model, commonly believed to describe high-temperature superconductors, is systematically studied using the Dynamical Cluster Approximation and Quantum Monte Carlo simulations as cluster solver. Due to the non-locality of the d-wave superconducting order parameter, the results on small clusters show large size and geometry effects. In large enough clusters, the results are independent of the cluster size and display a finite temperature instability to d-wave superconductivity.
We discuss the phase diagram of the extended Hubbard model with both attractive and repulsive local and nonlocal interactions. The extended dynamical mean-field theory (EDMFT) and the dual boson method (DB) are compared. The latter contains additional nonlocal correlation effects that are not incorporated in EDMFT. We find that EDMFT and DB give almost identical results in the attractive $V$ regime, where phase separation occurs. This is quite a difference with the previously studied repulsive $V$ regime, where EDMFT and DB give very different phase boundaries for the checkerboard order phase,…
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.
Systems of fermions described by the three-dimensional (3D) repulsive Hubbard model on a cubic lattice have recently attracted considerable attention due to their possible experimental realization via cold atoms in an optical lattice. Because analytical and numerical results are limited away from half-filling, we study the ground state of the doped system from weak to intermediate interaction strengths within the generalized Hartree-Fock approximation. The exact solution to the self-consistent-field equations in the thermodynamic limit is obtained and the ground state is shown to exhibit antif…
By a novel exact diagonalization technique we show that bound pairs propagate between repulsive Hubbard clusters in a superconducting fashion. The size of the matrices that must be handled depends on the number of fermion configurations {\em per spin}, which is of the order of the square root of the overall size of the Hilbert space. We use CuO$_{4}$ units connected by weak O-O links to model interplanar coupling and c-axis superconductivity in Cuprates. The numerical evidence on Cu$_{2}$O$_{8}$ and Cu$_{3}$O$_{12}$ prompts a new analytic scheme describing the propagation of bound pairs and al…
Recently, a new method, based on stochastic integration on the surfaces of steepest descent of the action, was introduced to tackle the sign problem in quantum field theories. We show how this method can be used in many body theories to perform fully non-perturbative calculations of quantum corrections about mean field solutions. We discuss an explicit algorithm for implementing our method, and present results for the repulsive Hubbard model away from half-filling at intermediate temperatures. Our results are consistent with those from the recent state of the art cluster dynamical mean field t…
We have rigorously shown that a strong Hubbard repulsion can cause superconductivity. The model, which has a particular set of local symmetries, manifests the phase diagram of many unconventional superconductors; anti-ferromagnetism paramagnetism, superconductivity, and even ferromagnetism are all observed. The key technique in the analysis is an exact non-linear fermion transformation, which preserves the correlated motion of electrons while removing the strong interactions. Using resolvent formalism, it is exactly shown that two holes at the Mott point bind to form a localised Cooper pair. A…
Many-electron dynamics induced by a symmetric monocycle electric-field pulse of large amplitude is theoretically investigated in one- and two-dimensional half-filled extended Hubbard models on regular lattices (i.e., without dimerization) using the exact diagonalization method for small systems and the Hartree-Fock approximation for large systems. The formation of a negative-temperature state and the change from repulsive interactions to effective attractive interactions are shown to be realized for a wide region of the field amplitude and the excitation energy. For a nonnegligible intersite r…
The hardcore extended Bose Hubbard model on a bilayer square lattice with attractive (repulsive) interplane (intraplane) interactions has been investigated numerically. Focusing on the strong interplane hopping parameter regime, triplet valence bonds of dimers are stabilized to form valence bond checkerboard solid at quarter filling. Increasing the particle number we confirm, for the first time, the presence of the exotic valence bond supersolid phase, where the valence bond solid ordering and the boson superfluidity coexist. Rising further the particle number will lead to a checkerboard solid…
We study the system of multi-body interacting bosons on a two dimensional optical lattice and analyze the formation of bound bosonic pairs in the context of the Bose-Hubbard model. Assuming a repulsive two-body interaction we obtain the signatures of pair formation in the regions between the Mott insulator lobes of the phase diagram for different choices of higher order local interactions. Considering the most general Bose-Hubbard model involving local multi-body interactions we investigate the ground state properties utilizing the cluster mean-field theory approach and further confirm the res…
We study magnetic, transport and thermodynamic properties of the half-filled two-dimensional ($2D$) Hubbard model with layered distributed repulsive interactions using unbiased finite temperature quantum Monte Carlo simulations. Antiferromagnetic long-ranged correlations at $T=0$ are confirmed by means of the magnetic structure factor and the onset of short-ranged ones is at a minimum temperature which can be obtained by peaks in susceptibility and specific heat following an RPA prediction. We also show that transport is affected in the large interaction limit and is enhanced in the non-repuls…
We present a systematic study of various forms of renormalization that can be applied in the calculation of the self-energy of the Hubbard model within the T-matrix approximation. We compare the exact solutions of the attractive and repulsive Hubbard models, for linear chains of lengths up to eight sites, with all possible taxonomies of the T-matrix approximation. For the attractive Hubbard model, the success of a minimally self-consistent theory found earlier in the atomic limit (Phys. Rev. B 71, 155111 (2005)) is not maintained for finite clusters unless one is in the very strong correlation…
We consider fermions in one-dimensional superlattices (SL's), modeled by site-dependent Hubbard-U couplings arranged in a repeated pattern of repulsive (i.e., U>0) and free (U=0) sites. Density Matrix Renormalization Group (DMRG) diagonalization of finite systems is used to calculate the local moment and the magnetic structure factor in the ground state. We have found four regimes for magnetic behavior: uniform local moments forming a spin-density wave (SDW), `floppy' local moments with short-ranged correlations, local moments on repulsive sites forming long-period SDW's superimposed with shor…
We obtain the phase diagram of the half-filled two-dimensional Hubbard model on a square lattice in the presence of Einstein phonons. We find that the interplay between the instantaneous electron-electron repulsion and electron-phonon interaction leads to new phases. In particular, a d$_{x^2-y^2}$-wave superconducting phase emerges when both anisotropic phonons and repulsive Hubbard interaction are present. For large electron-phonon couplings, charge-density-wave and s-wave superconducting regions also appear in the phase diagram, and the widths of these regions are strongly dependent on the p…
The few determinant (FED) methodology, introduced in our previous works for 1D lattices, is here adapted for the repulsive two-dimensional Hubbard model at half-filling and with finite doping fractions. Within this configuration mixing scheme, a given ground state with well defined spin and space group quantum numbers, is expanded in terms of a nonorthogonal symmetry-projected basis determined through chains of variation-after projection calculations. The results obtained for the ground state and correlation energies of half-filled and doped 4$\times$4, 6$\times$6, 8$\times$8, and 10$\times$10…
The quintessential two-dimensional lattice model that describes the competition between the kinetic energy of electrons and their short-range repulsive interactions is the repulsive Hubbard model. We study a time-reversal symmetric variant of the repulsive Hubbard model defined on a planar lattice: Whereas the interaction is unchanged, any fully occupied band supports a quantized spin Hall effect. We show that at 1/2 filling of this band, the ground state develops spontaneously and simultaneously Ising ferromagnetic long-range order and a quantized charge Hall effect when the interaction is su…
Similarity transformation of the Hubbard Hamiltonian using a Gutzwiller correlator leads to a non-Hermitian effective Hamiltonian, which can be expressed exactly in momentum-space representation, and contains three-body interactions. We apply this methodology to study the two-dimensional Hubbard model with repulsive interactions near half-filling in the intermediate interaction strength regime ($U/t=4$). We show that at optimal or near optimal strength of the Gutzwiller correlator, the similarity transformed Hamiltonian has extremely compact right eigenvectors, which can be sampled to high acc…
Stimulated by the recent finding of Na$_{0.35}$CoO$_2$.1.3H$_2$O superconductor, we investigate superconducting instabilities on a 2D triangular lattice in the repulsive Hubbard model. Using the third-order perturbation expansion with respect to the on-site repulsion $U$, we evaluate the linearized Dyson-Gor'kov equation. We find that an $f$-wave spin-triplet pairing is the most stable in a wide range of the next nearest neighbor hopping integral $t'$ and an electron number density $n$. The introduction of $t'$ is crucial to adjust the van Hove singularities to the neighborhood of the Fermi su…
In the framework of the Bose-Hubbard model, we show that two-particle surface bound states embedded in the continuum (BIC) can be sustained at the edge of a semi-infinite one-dimensional tight-binding lattice for any infinitesimally-small impurity potential $V$ at the lattice boundary. Such thresholdless surface states, that can be referred to as Tamm-Hubbard BIC states, exist provided that the impurity potential $V$ is attractive (repulsive) and the particle-particle Hubbard interaction $U$ is repulsive (attractive), i.e. for $UV<0$.
We obtain a complete and exact in the weak-coupling limit ($U \rightarrow 0$) ground state phase diagram of the repulsive fermionic Hubbard model on the square lattice for filling factors $0 < n < 2$ and next-nearest-neighbour hopping amplitudes $0 \le t^{\prime} \le 0.5$. Phases are distinguished by the symmetry and the number of nodes of the superfluid order parameter. The phase diagram is richer than may be expected and typically features states with a high --- higher than that of the fundamental mode of the corresponding irreducible representation --- number of nodes. The effective couplin…
Exact thermal studies of small (4-site, 5-site and 8-site) Hubbard clusters with local electron repulsion yield intriguing insight into phase separation, charge-spin separation, pseudogaps, condensation, in particular, pairing fluctuations away from half filling (near optimal doping). These exact calculations, carried out in canonical (i.e. for fixed electron number N) and grand canonical (i.e. fixed chemical potential $μ$) ensembles, monitoring variations in temperature T and magnetic field h, show rich phase diagrams in a T-$μ$ space consisting of pairing fluctuations and signatures of conde…
We give the first rigorous (non perturbative) proof of Luttinger liquid behavior in the one dimensional Hubbard model, for small repulsive interaction and values of the density different from half filling. The analysis is based on the combination of multiscale analysis with Ward identities bases on a hidden and approximate local chiral gauge invariance. No use is done of exact solutions or special integrability properties of the Hubbard model, and the results can be in fact easily generalized to include non local interactions, magnetic fields or interaction with external potentials
Interplay of Pomeranchuk instability (spontaneous symmetry breaking of the Fermi surface) and d-wave superconductivity is studied for the repulsive Hubbard model on the square lattice with the dynamical mean field theory combined with the fluctuation exchange approximation (FLEX+DMFT). We show that the four-fold symmetric Fermi surface becomes unstable against a spontaneous distortion into two-fold near the van Hove filling, where the symmetry of superconductivity coexisting with the Pomeranchuk distorted Fermi surface is modified from the d-wave pairing to (d+s)-wave. By systematically shifti…
The ground-state properties of the Hubbard chain with on-site repulsion and anisotropic nearest-neighbor attraction are investigated by means of density matrix renormalization group calculations. The non-local attraction acts between fermions of one spin component only, mimicking the effect of p-wave Feshbach resonances in cold-atom systems. We analyze the onset of itinerant ferromagnetism, pinpointing the critical attraction strength where partially and fully ferromagnetic states occur. In the cold-atom setup, where the two (pseudo) spin populations are separately conserved, ferromagnetism oc…
Commensurate and incommensurate antiferromagnetic fluctuations in the two-dimensional repulsive t-t'-Hubbard model are investigated using functional renormalization group equations. For a sufficient deviation from half filling we establish the existence of local incommensurate order below a pseudocritical temperature T_{pc}. Fluctuations not accounted for in the mean field approximation are important--they lower T_{pc} by a factor \approx2.5.
A classical wave optics realization of the two-site Hubbard model, describing the dynamics of interacting fermions in a double-well potential, is proposed based on light transport in evanescently-coupled optical waveguides.
We calculate the interaction-induced deformation of the Fermi surface in the two-dimensional Hubbard model within second order perturbation theory. Close to half-filling, interactions enhance anisotropies of the Fermi surface, but they never modify the topology of the Fermi surface in the weak coupling regime.
