The genuine physical reasons explaining the delocalization effect of the Hubbard repulsion U are analyzed. First it is shown that always when this effect is observed, U acts on the background of a macroscopic degeneracy present in a multiband type of system. After this step I demonstrate that acting in such conditions, by strongly diminishing the double occupancy, U spreads out the contributions in the ground state wave function, hence strongly increases the one-particle localization length, consequently extends the one-particle behavior producing conditions for a delocalization effect. To be valuable, the reported results are presented in exact terms, being based on the first exact ground states deduced at half filling in two dimensions for a prototype two band system, the generic periodic Anderson model at finite value of the interaction.
We study the suppression of electron localization due to the screening of disorder in a Hubbard-Anderson model. We focus on the change of the electron localization length at the Fermi level within a static picture, where interactions are absorbed into the redefinition of the random on-site energies. Two different approximations are presented, either one yielding a nonmonotonic dependence of the localization length on the interaction strength, with a pronounced maximum at an intermediate interaction strength. In spite of its simplicity, our approach is in good agreement with recent numerical re…
We study the difference between on site Hubbard and long range Coulomb repulsions for two interacting particles in a disordered chain. While Hubbard repulsion can only yield weak critical chaos with intermediate spectral statistics, Coulomb repulsion can drive the two particle system to quantum chaos with Wigner-Dyson spectral statistics. For intermediate strengths U of the two repulsions in one dimension, there is a crossover regime where delocalization and spectral rigidity are maximum, whereas the limits of weak and strong U are characterized by a stronger localization and uncorrelated ener…
We investigate the 1D Anderson-Hubbard model at half filling with box-disorder. The ground state phase diagram is obtained by means of real-space dynamical mean-field theory (R-DMFT) and the density matrix renormalization group (DMRG). We find Mott insulating and Anderson localized regimes as well as a strong indication of a delocalized phase for intermediate interaction and disorder strength within accessible system sizes. These phases are characterized and distinguished by qualitatively different scaling behavior of the local density of states, the energy gap in the excitation spectrum and t…
We use the embedding approach for a dynamical mean-field method to investigate the electronic properties of a semi-infinite two band Hubbard model at half- and quarter-filling. Two effects determine the degree of correlation at the surface: first, there will charge transfer between the surface and the bulk, and, secondly, electrons at the surface are less delocalized due to the reduced coordination number. We determine the result of these two effects and compute the quasiparticle weight. It is shown that depletion of charge from the surface to the bulk at quarter-filling competes with enhanced…
This paper is part of a broader study whose main goal is the study of the finite-energy spectral properties of the non-perturbative one-dimensional (1D) Hubbard model and the evaluation of finite-energy correlation-function expressions. Here we study the deviations from the ground state values of double occupancy which result from creation or annihilation of holons, spinons, and pseudoparticles. The band-momentum dependence of the obtained double-occupancy spectra provides important information on the degree of localization/delocalization of the real-space lattice electron site distribution co…
We have studied the influence of nearest-neighbor (NN) repulsion on the low frequency phase diagram of a quarter-filled Hubbard-Holstein chain. The NN repulsion term induces the apparition of two new long range ordered phases (one $4k_F$ CDW for positive $U_{eff} = U-2g^2/ω$ and one $2k_F$ CDW for negative $U_{eff}$) that did not exist in the V=0 phase diagram. These results are put into perspective with the newly observed charge ordered phases in organic conductors and an interpretation of their origin in terms of electron-molecular vibration coupling is suggested.
We focus our quantitative analysis on the stability of the insulator state in the Hubbard model at a half-filling. Taking into account large-scale fluctuations (with a long relaxation time) of the on-site Coulomb repulsion, we consider the possibility of realizing a stabile state which is characterized by pairing for electrons. The pairing mechanism is as follows: due to fluctuations of on-site repulsion of electrons, holes, as excited states, are formed electron pairs. The bare values of on-site Coulomb repulsion and its fluctuations, for which the states with electron pairing are stable, are…
We generalize the two-particle self-consistent approach (TPSC) to study the extended Hubbard model, where nearest-neighbor interaction is present in addition to the usual local screened interaction. Similarities and differences between the TPSC approach and the Singwi Tosi Land Sjölander (STLS) approximation for the electron gas are discussed. The accuracy of our extension of TPSC is assessed by comparisons with Quantum Monte Carlo calculations of Y. Zhang and J. Callaway, Phys. Rev. B \textbf{39}, 9397 (1989). We observe that a positive off-site interaction enhances staggered charge fluctuati…
We develop a scaling theory of interaction-induced delocalization of few-particle states in disordered quantum systems. In the absence of interactions, all single-particle states are localized in $d<3$, while in $d \geq 3$ there is a critical disorder below which states are delocalized. We hypothesize that such a delocalization transition occurs for $n$-particle bound states in $d$ dimensions when $d+n\geq 4$. Exact calculations of disorder-averaged $n$-particle Greens functions support our hypothesis. In particular, we show that $3$-particle states in $d=1$ with nearest-neighbor repulsion wil…
The majority of fulleride superconductors with unusually high transition-temperature to kinetic-energy ratios have a face-centred-cubic (FCC) structure. We demonstrate that, within extended Hubbard models with strong Coulomb repulsion, paired fermions in FCC lattices have qualitatively different properties than pairs in other three-dimensional cubic lattices. Our results show that strongly bound, light, and small pairs can be generated in FCC lattices across a wide range of the parameter space. We estimate that such pairs can Bose condense at high temperatures even if the lattice constant is l…
In this paper we find that in the thermodynamic limit and for the the ground-state normal-ordered 1D Hubbard model the wave function of excited states contained in few-electron excitations factorizes for all values of the on-site Coulombian repulsion. This factorization results from the non-interacting character of the pseudofermions whose occupancy configurations describe these excited states. Our study includes the introduction of the pseudoparticle - pseudofermion unitary transformation and of an operator algebra for both the pseudoparticles and the pseudofermions. The pseudofermions are no…
We consider the extended Hubbard model with attractive on-site interaction U and nearest-neighbor repulsions V. We construct an effective Hamiltonian H_{eff} for hopping t<<V and arbitrary U<0. Retaining the most important terms, H_{eff} can be mapped onto two XXZ models, solved by the Bethe ansatz. The quantum phase diagram shows two Luttinger liquid phases and a region of phase separation between them. For density n<0.422 and U<-4, singlet superconducting correlations dominate at large distances. For some parameters, the results are in qualitative agreement with experiments in BaKBiO.
In this paper we find that in the thermodynamic limit and for the the ground-state normal-ordered 1D Hubbard model the wave function of the excited energy eigenstates which span the Hilbert subspace where the finite-number-electron excitations are contained factorizes for all values of the on-site Coulombian repulsion U. This factorization results from the absence of residual energy interactions for the pseudofermions whose occupancy configurations describe these states. Our study includes the introduction of the pseudoparticle - pseudofermion unitary transformation and of an operator algebra …
We observe the effect of non-zero magnetization m onto the superconducting ground state of the one dimensional repulsive Hubbard model with correlated hopping X. For t/2 < X < 2t/3, the system first manifests Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) oscillations in the pair-pair correlations. For m = m1 a kinetic energy driven macroscopic phase separation into low-density superconducting domains and high-density polarized walls takes place. For m > m2 the domains fully localize, and the system eventually becomes a ferrimagnetic insulator.
We study the behavior of fermion liquid defined on hexagonal and triangular lattices with short-range repulsion at half filling. In strong coupling limit the Mott-Hubbard phase state is present, the main peculiarity of insulator state is a doubled cell of the lattices. In the insulator state at half filling fermions with momenta $k$ and $k+π$ are coupled via the effective $λ$-field, the gap in the spectrum of quasi-particle excitations opens and the Mott phase transition is occured at a critical value of the one-site Hubbard repulsion~$U_c$. $U_c=3.904$ and $U_c=5.125$ are calculated values fo…
We investigate the possibility to control dynamically the interactions between repulsively bound pairs of fermions (doublons) in correlated systems with off-resonant ac fields. We introduce an effective Hamiltonian that describes the physics of doublons up to the second-order in the high-frequency limit. It unveils that the doublon interaction, which is attractive in equilibrium, can be completely suppressed and then switched to repulsive by varying the power of the ac field. We show that the signature of the dynamical repulsion between doublons can be found in the single-fermion density of st…
We test the response to a threading magnetic field of rings of 5-site $C_{4v}$-symmetric repulsive Hubbard clusters connected by weak intercell links; each 5-site unit has the topology of a CuO$_{4}$ cluster and a repulsive interaction is included on every site. In a numerical study of the three-unit ring with 8 particles, we take advantage of a novel exact-diagonalization technique which can be generally applied to many-fermion problems. For O-O hopping we find Superconducting Flux Quantization (SFQ), but for purely Cu-Cu links bound pair propagation is hindered by symmetry. The results agree…
The electronic states of selected nanosystems are discussed within the Exact Diagonalization Ab Initio (EDABI) method. In particular, incipient Mott--Hubbard localization effects and associated with it properties analyzed in detail.
We consider nearly-flat-band Hubbard models of a ferromagnet, that is the models that are weak perturbations of those flat-band Hubbard models whose ground state is ferromagnetic for any nonzero strength $U$ of the Hubbard repulsion. In contrast to the flat-band case, in the nearly-flat-band case the ground state, being paramagnetic for $U$ in a vicinity of zero, turns into a ferromagnetic one only if $U$ exceeds some nonzero threshold value $U_{th}$. We address the question whether $U_{th}$ of the considered models is in a physical range, therefore we attempt at obtaining possibly good estima…
Several recent exact diagonalization calculations have established that the Anderson-Hubbard model has a disorder-induced zero bias anomaly (ZBA) (also called a disorder-induced pseudogap) in the density of states. In order to understand the physics of the ZBA, we study a simplified problem---an ensemble of two-site molecules with random site energies---for which analytical results are possible. For this ensemble, we examine how the ZBA forms in both the weakly correlated (mean field) and strongly correlated limits. In the weakly correlated case, the ZBA can be understood as the result of leve…
We study antiferromagnetism and single-particle properties in the two-dimensional half-filled Hubbard model at low temperature. Collective spin fluctuations are governed by a non-linear sigma model that we derive from the Hubbard model for any value of the Coulomb repulsion. As the Coulomb repulsion increases, the ground state progressively evolves from a Slater to a Mott-Heisenberg antiferromagnet. At finite temperature, we find a metal-insulator transition between a pseudogap phase at weak coupling and a Mott-Hubbard insulator at strong coupling.
We propose a paring mechanism between holes in the dilute limit of doped frustrated Mott insulators. Hole pairing arises from a hole-hole-magnon three-body bound state. This pairing mechanism has its roots on single-hole kinetic energy frustration, which favors antiferromagnetic (AFM) correlations around the hole. We demonstrate that the AFM polaron (hole-magnon bound state) produced by a single-hole propagating on a field-induced polarized background is strong enough to bind a a second hole. The effective interaction between these three-body bound states is repulsive, implying that this pairi…
We investigate electronic properties of the doped two-leg Hubbard ladder with both the onsite and the nearest-neighbor Coulomb repulsions, by using the the weak-coupling renormalization-group method. It is shown that, for strong nearest-neighbor repulsions, the charge-density-wave state coexisting with the p-density-wave state becomes dominant fluctuation where spins form intrachain singlets. By increasing doping rate, we have also shown that the effects of the nearest-neighbor repulsions are reduced and the system exhibits a quantum phase transition into the d-wave-like (or rung-singlet) supe…
We present the first rigorous example of the Hubbard model in any dimensions which exhibits metallic ferromagnetism. The model is a genuine Hubbard model with short-range hopping and on-site Coulomb repulsion, and has multi single-electron bands. In the limit where the band gap and the Coulomb repulsion become infinite, we prove that the ground states are completely ferromagnetic and at the same time conducting.
In a half-filled Hubbard model on a square lattice, the next-nearest-neighbor hopping causes spin frustration, and the collinear antiferromagnetic (CAF) state appears as the ground state with suitable parameters. We find that there is a metal-insulator transition in the CAF state at a critical on-site repulsion. When the repulsion is small, the CAF state is metallic, and a van Hove singularity can be close to the Fermi surface, resulting in either a kink or a discontinuity in the magnetic moment. When the on-site repulsion is large, the CAF state is a Mott insulator. A first-order transition f…
Motivated by the recent experiments that reported signatures of many-body localization of ultracold atoms in optical lattices [M. Schreiber {\it et al.}, Science {\bf 349}, 842 (2015)], we study dynamics of highly excited states in the strongly disordered Hubbard model in one dimension. Owing to the $SU(2)$ spin symmetry, spin degrees of freedom form a delocalized thermal bath with a narrow bandwidth. The spin bath mediates slow particle transport, eventually leading to delocalization of particles. The particle hopping rate is exponentially small in $t/W$ ($t$, $W$ being hopping and disorder s…
We propose a method that incorporates explicit derivative discontinuity of the total energy with respect to the number of electrons and treats both delocalization and static correlation effects in density functional calculations. Our approach is motivated by the exact behavior of the ground state total energy of electrons and involves minimization of the exchange-correlation energy with respect to the Fock space density matrix. The resulting density matrix minimization (DMM) model is simple to implement and can be solved uniquely and efficiently. In a case study of KCuF$_3$, a prototypical Mot…
We study charge ordering in the extended Hubbard model with both on-site and nearest neighbor Coulomb repulsion (U and V, respectively) within the Coherent potential approximation (CPA). The phase boundary between the homogeneous and charge ordered phase for the square lattice is obtained for different values of U. It is shown that at quarter filling for all values of U the charge ordering exists only if the inter-site Coulomb repulsion V exceeds certain critical value which is of the order of the kinetic energy t. At finite temperature a reentrant transition is found in some region of V.
We study two identical fermions, or two hard-core bosons, in an infinite chain and coupled to phonons by interactions that modulate their hopping as described by the Peierls/Su-Schrieffer-Heeger (SSH) model. We show that exchange of phonons generates effective nearest-neighbor repulsion between particles and also gives rise to interactions that move the pair as a whole. The two-polaron phase diagram exhibits two sharp transitions, leading to light dimers at strong coupling and the flattening of the dimer dispersion at some critical values of the parameters. This dimer (quasi)self-trapping occu…
We describe a recent implementation of the combined GW and dynamical mean field (DMFT) method "GW+DMFT" for the two-dimensional Hubbard model with on-site and nearest-neighbor repulsion. We clarify the relation of the GW+DMFT scheme to alternative approaches in the literature, and discuss the corresponding approximations to the free energy functional of the model. Furthermore, we describe a numerically exact technique for the self-consistent solution of the GW+DMFT equations, namely the hybridization expansion continuous-time algorithm for solving the dynamical impurity model that arises withi…
We investigate the optical conductivity in the Mott insulating phase of the one-dimensional extended Hubbard model with alternating hopping terms (dimerization) at quarter band filling. Optical spectra are calculated for the various parameter regimes using the dynamical density-matrix renormalization group method. The study of limiting cases allows us to explain the various structures found numerically in the optical conductivity of this model. Our calculations show that the dimerization and the nearest-neighbor repulsion determine the main features of the spectrum. The on-site repulsion plays…
We study the isotope effects arising from the coupling of correlated electrons with dispersionless phonons by considering the Hubbard-Holstein model at half-filling within the dynamical mean-field theory. In particular we calculate the isotope effects on the quasi-particle spectral weight $Z$, the renormalized phonon frequency, and the static charge and spin susceptibilities. In the weakly correlated regime $U/t \lesssim 1.5$, where $U$ is the Hubbard repulsion and $t$ is the bare electron half-bandwidth, the physical properties are qualitatively similar to those characterizing the Holstein mo…
We examine the density-density correlation function in the Tomonaga-Luttinger liquid state for the one-dimensional extended Hubbard model with the on-site Coulomb repulsion $U$ and the intersite repulsion $V$ at quarter filling. By taking into account the effect of the marginally irrelevant umklapp scattering operator by utilizing the renormalization-group technique based on the bosonization method, we obtain the generalized analytical form of the correlation function. We show that, in the proximity to the gapped charge-ordered phase, the correlation function exhibits anomalous crossover betwe…
We derive an effective Hamiltonian for the two-dimensional Hubbard-Holstein model in the regimes of strong electron-electron and strong electron-phonon interactions by using a nonperturbative approach. In the parameter region where the system manifests the existence of a correlated singlet phase, the effective Hamiltonian transforms to a $t_1-V_1-V_2-V_3$ Hamiltonian for hard-core-bosons on a checkerboard lattice. We employ quantum Monte Carlo simulations, involving stochastic-series-expansion technique, to obtain the ground state phase diagram. At filling $1/8$, as the strength of off-site re…
We analyze the finite-temperature phase diagram of the boson-fermion-Hubbard model with Feshbach converting interaction, using the coherent-state path-integral method. We show that depending on the position of the bosonic band, this type of interaction, even if weak, can drive the system into the resonant superfluid phase in the strong bosonic interaction limit. It turns out that this phase can exist for an arbitrary number of fermions (i.e., fermionic concentration between 0 and 2) but with the bosonic particle number very close to an integer value. We point out that the standard time-of-flig…
Ultrafast lasers are an increasingly important tool to control and stabilize emergent phases in quantum materials. Among a variety of possible excitation protocols, a particularly intriguing route is the direct light-engineering of microscopic electronic parameters, such as the electron hopping and the local Coulomb repulsion (Hubbard $U$). In this work, we use time-resolved x-ray absorption spectroscopy to demonstrate the light-induced renormalization of the Hubbard $U$ in a cuprate superconductor, La$_{1.905}$Ba$_{0.095}$CuO$_4$. We show that intense femtosecond laser pulses induce a substan…
The equation for the electron Green's function of the fermionic Hubbard model, derived using the strong coupling diagram technique, is solved self-consistently for the near-neighbor form of the kinetic energy and for half-filling. In this case the Mott transition occurs at the Hubbard repulsion $U_c\approx 6.96t$, where $t$ is the hopping constant. The calculated spectral functions, density of states and momentum distribution are compared with results of Monte Carlo simulations. A satisfactory agreement was found for $U>U_c$ and for temperatures, at which magnetic ordering and spin correlation…
We derive an effective spin Hamiltonian for the one-dimensional half-filled Alternating Hubbard model in the limit of strong on-site repulsion. We show that the effective Hamiltonian is a spin $S=1/2$ Heisenberg chain with asymmetric next-nearest-neighbor (nnn) exchange.
We investigate the phase diagram of a quarter filled Hubbard ladder with nearest-neighbor Coulomb repulsion using bosonization and renormalization group approach. Focusing on the strong-repulsion regime, we discuss the effect of an interchain exchange interaction J and interchain repulsion V on the possible ground states of the system and charge order configurations. Since the spin excitations always possess a gap, we find competing bond-order wave and charge density wave phases as possible ground states of the ladder model. We discuss the elementary excitations in these various phases and poi…
We derive an effective spin Hamiltonian for the one-dimensional half-filled tetramerized ionic-Hubbard model in the limit of strong on-site repulsion. We show that the effective Hamiltonian which describes the low-energy spin sector of the model is a spin S=1/2 Heisenberg Hamiltonian with alternating nearest-neighbour exchange.
A trial wave function is proposed for studying the instability of the two-dimensional Hubbard model with respect to d-wave superconductivity. Double occupancy is reduced in a similar way as in previous variational studies, but in addition our wave function both enhances the delocalization of holes and induces a kinetic exchange between the electron spins. These refinements lead to a large energy gain, while the pairing appears to be weakly affected by the additional term in the variational wave function.
A microscopic theory of superconductivity in the extended Hubbard model which takes into account the intersite Coulomb repulsion and electron-phonon interaction is developed in the limit of strong correlations. The Dyson equation for normal and pair Green functions expressed in terms of the Hubbard operators is derived. The self-energy is obtained in the noncrossing approximation. In the normal state, antiferromagnetic short-range correlations result in the electronic spectrum with a narrow bandwidth. We calculate superconducting Tc by taking into account the pairing mediated by charge and spi…
We consider a modified extended Hubbard model (EHM) which, in addition to the on-site repulsion U and nearest-neighbor repulsion V, includes polarization effects in second-order perturbation theory. The model is equivalent to an EHM with renormalized U plus a next-nearest-neighbor repulsion term. Using a method based on topological quantum numbers (charge and spin Berry phases), we generalize to finite hopping t the quantum phase diagram in one dimension constructed by van den Brink et al. (Phys. Rev. Lett. 75, 4658 (1995)). At hopping t=0 there are two charge density-wave phases, one spin den…
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 Self Consistent Random Phase Approximation (SCRPA) and a Direct Analytical (DA) method are proposed to solve the Extended Hubbard Model in 1D. We have considered an Extended Hubbard Model (EHM) including on-site and off-site interactions for closed chains in one dimension with periodic boundary conditions. The comparison of the SCRPA results with ones obtained by a Direct Analytical approach shows that the SCRPA treats the problem of these closed chains with a rigorous manner. The analysis of the nearest-neighbour repulsion effect on the dynamics of our closed chains shows that this repuls…
We provide analytical and numerical solution of the two band fermion model with on-site Coulomb at half filling. In limiting cases for generate bands and one flat band, the model reduces to the Hubbard and Falicov-Kimball models, respectively. We have shown that the insulator state emerges at half filling due to hybridization of fermions of different bands with momenta k and k$+π$. Such hybridization breaks the conservation of the number of particles in each band, the Mott transition is a consequence of spontaneous symmetry breaking. A gap in the spectrum is calculated depending on the magnitu…
Interacting fermions on the half-filled honeycomb lattice with short-range repulsions have been suggested to host a variety of interesting many-body ground states, e.g., a topological Mott insulator. A number of recent studies of the spinless case in terms of exact diagonalization, the infinite density matrix renormalization group and the functional renormalization group, however, indicate a suppression of the topological Mott insulating phase in the whole range of interaction parameters. Here, we complement the previous studies by investigating the quantum many-body instabilities of the physi…
The strong coupling diagram technique is used for investigating states near the metal-insulator transition in the half-filled two-dimensional repulsive Hubbard model. The nonlocal third-order term is included in the irreducible part along with local terms of lower orders. Derived equations for the electron Green's function are solved by iteration for moderate Hubbard repulsions and temperatures. Starting iteration from Green's functions of the Hubbard-I approximation with various distances of poles from the real frequency axis continua of different metallic and insulating solutions are obtaine…
We consider the one-dimensional extended Hubbard model in the presence of an explicit dimerization $δ$. For a sufficiently strong nearest neighbour repulsion we establish the existence of a quantum phase transition between a mixed bond-order wave and charge-density wave phase from a pure bond-order wave phase. This phase transition is in the universality class of the two-dimensional Ising model.
Using the variational Monte-Carlo method we find that a relatively weak long-range electron-phonon interaction induces a d-wave superconducting state of doped Mott-Hubbard insulators and/or strongly-correlated metals with a condensation energy significantly larger than can be obtained with Coulomb repulsion only. Moreover, the superconductivity is shown to exist for infinite on-site Coulomb repulsion, removing the requirement for additional mechanisms such as spin fluctuations to mediate d-wave superconductivity. We argue that the superconducting state is robust with respect to a more intricat…
We discuss a reduction of superconducting transition temperature by the intersite Coulomb repulsion for the d-wave pairing in cuprates. We compare the results found for the spin-fermion model and the extended Hubbard model. We argue that in both the models the d-wave superconducting transition temperature is reduced by the Coulomb repulsion of holes in different unit cells. We also show that in the strong correlation limit the s-wave superconductivity cannot occur due to the kinematic restriction of no double occupancy in the Hubbard subbands.
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 …
