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 calculated. The proposed pairing mechanism is to some extent similar to the formation of a localized moment in the Wolf model. The calculations were performed for the chain, as well as square and cubic lattices.
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 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 discuss the pairing symmetry of a cobaltate superconductor Na$_x$CoO$_2\cdot y$ H$_2$O by adopting an effective single band model that takes into account the $e_g'$ hole pockets, as discussed in our previous paper [to appear in Phys. Rev. Lett.] Here we consider the off-site repulsions in addition to the on-site repulsion considered in our previous study. We show that the spin-triplet f-wave pairing proposed in our previous study is robust to some extent even in the presence of off-site repulsions. However, f-wave pairing gives way to singlet pairings for sufficiently large values of off-si…
Asymmetric two-leg Hubbard ladders with different on-site interactions $U_y$ and hoppings $t_y$ on each leg are investigated using the density matrix renormalization group method and exact diagonalizations. The pairing found in symmetric ladders is robust against the introduction of the leg asymmetry. When studying pairing, one-band Hubbard ladder models are better described as one-dimensional correlated two-band models than as sublattices of higher dimensional systems. The asymmetric Hubbard ladder provides us with a simple model for studying pairing in the crossover regime between charge tra…
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…
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 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…
Local spin fluctuations provide the glue for orbital-singlet spin-triplet pairing in the doped Mott insulating regime of multi-orbital Hubbard models. At large Hubbard repulsion $U$, the pairing susceptibility is nevertheless very low, because the pairing interaction cannot overcome the suppression of charge fluctuations. Using nonequilibrium dynamical mean field simulations of the two-orbital Hubbard model, we show that out of equilibrium the pairing susceptibility in this large-$U$ regime can be strongly enhanced by creating a photo-induced population of the relevant charge states, and that …
To shed light into the pairing mechanism of possible spin-triplet superconductors (TMTSF)$_2$X and Sr$_2$RuO$_4$, we study the competition among various spin singlet and triplet pairing channels in the Hubbard model by calculating the pairing interaction vertex using the ground state quantum Monte Carlo technique. We model (TMTSF)$_2$X by a quarter-filled quasi-one dimensional (quasi-1D) Hubbard model,and the $γ$ band of Sr$_2$RuO$_4$ by a two dimensional (2D) Hubbard model with a band filling of $\sim 4/3$. For the quasi-1D system, we find that triplet $f$-wave pairing not only dominates over…
We show that in anharmonic one-dimensional crystal lattices pairing of electrons or holes in a localized bisolectron state is possible due to coupling between the charges and the lattice deformation that can overcompensate the Coulomb repulsion. Such localized soliton-like states appear as traveling ground bound singlet states of two extra electrons in the potential well created by the local lattice deformation. We also find the first excited localized state of two electrons in a soliton-like lattice deformation potential well given by a triplet state of two electrons. The results of the analy…
We consider the Hubbard model and its extensions on bipartite lattices. We define a dynamical group based on the $η$-pairing operators introduced by C.N.Yang, and define coherent pairing states, which are combinations of eigenfunctions of $η$-operators. These states permit exact calculations of numerous physical properties of the system, including energy, various fluctuations and correlation functions, including pairing ODLRO to all orders. This approach is complementary to BCS, in that these are superconducting coherent states associated with the exact model, although they are not eigenstates…
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 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.
The Hubbard model and its extensions are important microscopic models for understanding high- $T_c$ superconductivity in cuprates. In the model with next-nearest-neighbor hopping $t'$ (the $t'$- Hubbard model), pairing is strongly influenced by $t'$ . In particular, a recent study on a width-4 cylinder observed quasi-long-rage superconducting order, associated with a negative $t'$ , which was taken to imply superconductivity in the two-dimensional (2D) limit. In this work we study more carefully pairing in the width-4 $t'$-Hubbard model. We show that in this specific system, the pairing symmet…
An extensive Quantum Monte Carlo calculation is performed for the two-leg Hubbard ladder model to clarify whether the singlet pairing correlation decays slowly, which is predicted from the weak-coupling theory but controversial from numerical studies. Our result suggests that the discreteness of energy levels in finite systems affects the correlation enormously, where the enhanced pairing correlation is indeed detected if we make the energy levels of the bonding and anti-bonding bands lie close to each other at the Fermi level to mimic the thermodynamic limit.
Quantum Monte Carlo is used to investigate the possibility of d_{x^2-y^2} superconductivity in the two-dimensional repulsive Hubbard model. A small energy scale relevant to possible pairing requires a care (i.e., sufficiently small level separation between the $k$ points $(δk,π-δk')$ and $(π-δk'',δk''')$ with small $δk$'s) to detect enhanced correlations in finite-size studies, as motivated from a previous study on Hubbard ladders. Our calculation indeed detects long-tailed enhancements in the d_{x^2-y^2} pairing correlation when the system is near, but not exactly at, half-filling.
Cluster dynamical mean field calculations are used to construct the superconducting gap function of the two dimensional Hubbard model. The frequency dependence of the imaginary part of the gap function indicates that the pairing is dominated by fluctuations at two characteristic frequencies: one at the scale of the hopping matrix element $t$ and one at a much lower scale. The lower frequency component becomes more important as the doping is reduced into the pseudogap regime. Comparison to available information on the spin fluctuation spectrum of the model suggests that the superconductivity ar…
The dominating superconducting pairing symmetry of the kagome-lattice Hubbard model is investigated using the determinant quantum Monte Carlo method. The superconducting instability occurs when doping the correlated insulators formed by the Hubbard interaction near the Dirac filling, and the superconducting state exhibits an electron-hole asymmetry. Among the pairing symmetries allowed, we demonstrate that the dominating channel is d-wave in the hole-doped case. This opens the possibility of condensation into an unconventional $d_{x^2-y^2}+id_{xy}$ phase, which is characterized by an integer t…
In order to shed light whether the `even-odd conjecture' (even numbers of legs will superconduct accompanied by a spin gap while odd ones do not) for correlated electrons in ladder systems, the pairing correlation is studied for the Hubbard model on a two- and three-leg ladders. We have employed both the weak-coupling renormalization group and the quantum Monte Carlo (QMC) method for strong interactions. For the two-leg Hubbard ladder, a systematic QMC (with a controlled level spacings) has detected an enhanced pairing correlation, which is consistent with the weak-coupling prediction. We also…
Quantum Monte Carlo is used to calculate various pairing correlations of the 2D Hubbard model possessing band features experimentally observed in the cuprates. In the hole-doped case, where the Fermi level lies close to the van Hove singularities around $(0,π)$, the d$_{x^2-y^2}$ pairing correlation is selectively enhanced, while in the electron-doped case, where the singularities are far below the Fermi level and the Fermi surface runs through $(\pm π/2,\pm π/2)$, both d$_{x^2-y^2}$ and d$_{xy}$ correlations are enhanced with the latter having a $\sqrt{2}\times \sqrt{2}$ structure. The two pa…
Antiferromagnetic and d_{x2-y2}-pairing correlations appear delicately balanced in the 2D Hubbard model. Whether doping can tip the balance to pairing is unclear and models with additional interaction terms have been studied. In one of these, the square of a local hopping kinetic energy H_W was found to favor pairing. However, such a term can be separated into a number of simpler processes and one would like to know which of these terms are responsible for enhancing the pairing. Here we analyze these processes for a 2-leg Hubbard ladder.
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 show that different non-conventional superconductors have one fundamental feature in common: pair eigenstates of the Hamiltonian are repulsion-free, the W=0 pairs. In extended Hubbard models, pairing can occur for resonable parameter values. For $(N,N)$ nanotubes the binding energy of the pair depends strongly on the filling and decreases towards a reduced but nonzero value for the graphite sheet $N \to \infty$.
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…
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 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 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…
We present a method to compute pairing fluctuations on top of the Gutzwiller approximation (GA). Our investigations are based on a charge-rotational invariant GA energy functional which is expanded up to second order in the pair fluctuations. Equations of motion for the fluctuations lead to a renormalized ladder type approximation. Both spectral functions and corrections to static quantities, like the ground-state energy, are computed. The quality of the method is examined for the single-band Hubbard model where we compare the dynamical pairing correlations for s- and d-wave symmetries with ex…
In order to probe the effect of charge fluctuations on triplet pairing, we study the pairing symmetry in the one-band Hubbard model having the off-site Coulomb repulsion ($V$) on top of the on-site repulsion as a model for the $γ$ band of Sr$_2$RuO$_4$, a strong candidate for triplet pairing superconductor. The result, obtained with the dynamical cluster approximation combined with the quantum Monte-Carlo method, and confirmed from the fluctuation exchange approximation, shows that while $d_{x^2-y^2}$-pairing dominates over $p$ in the absence of $V$, introduction of $V$ makes $p_{x+y}$ and $d_…
We consider a modification of the one-dimensional Hubbard model by including an external pairing potential. Guided by analytic bosonization results, we quantitatively determine the grand-canonical zero-temperature phase diagram using both finite and infinite density matrix renormalization group algorithm based on the formalism of matrix product states and matrix product operator, respectively. By computing various local quantities as well as the half-system entanglement, we are able to distinguish between Mott, metallic and superconducting phases. We point out the compressible nature of the Mo…
We study the effect of interlayer Coulomb interaction in an electronic double layer. Assuming that each of the layers consists of a bipartite lattice, a sufficiently strong interlayer interaction leads to an interlayer pairing of electrons with a staggered order parameter. We show that the correlated pairing state is dual to the excitonic pairing state with uniform order parameter in an electron-hole double layer. The interlayer pairing of electrons leads to strong current-current correlations between the layers. We also analyze the interlayer conductivity and the fluctuations of the order par…
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 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.
The introduction of non-Hermiticity has greatly enriched the research field of traditional condensed matter physics, and eventually led to a series of discoveries of exotic phenomena. We investigate the effect of non-Hermitian imaginary hoppings on the attractive Hubbard model. The exact bound-pair solution shows that the electron-electron correlation suppresses the non-Hermiticity, resulting in off-diagonal long-range order (ODLRO) ground state. In a large negative $U $ limit, the ODLRO ground state corresponds to $η$-spin ferromagnetic states. We also study the system with mixed hopping conf…
The interactions between holes in the Hubbard model, in the low density, intermediate to strong coupling limit, are investigated by systematically improving mean field calculations. The Configuration Interaction basis set is constructed by applying to local Unrestricted Hartree-Fock configurations all lattice translations and rotations. It is shown that this technique reproduces, correctly, the properties of the Heisenberg model, in the limit of large U. Upon doping, dressed spin polarons in neighboring sites have an increased kinetic energy and an enhanced hopping rate. Both effects are of th…
The ground-state properties of the Hubbard model with attractive local pairing interactions are investigated in the framework of lattice density-functional theory. A remarkable correlation is revealed between the interaction-energy functional $W[\boldsymbolη]$ corresponding to the Bloch-state occupation-number distribution $η_{\boldsymbol{k}σ}$ and the entropy $S[\boldsymbolη]$ of a system of non-interacting fermions having the same $η_{\boldsymbol{k}σ}$. The relation between $W[\boldsymbolη]$ and $S[\boldsymbolη]$ is shown to be approximately linear for a wide range of ground-state representa…
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 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 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…
The ground state phase diagram of the two-dimensional attractive Hubbard model with population imbalance is explored using a mean field ansatz. A linear programming algorithm is used to identify the blocked states, such that the population imbalance can be imposed exactly. This allows to explore regions of the number-projected phase diagram that can not be obtained with the conventional Bogoliubov-de Gennes ansatz. The Fulde-Ferrel-Larkin-Ovchinnikov (FFLO) phase of pairs with non-zero momentum is found to be the ground state over a wide range of parameters, while phase separation occurs only …
We present a microscopic theory of fluctuation-mediated pairing mechanism in a two-dimensional extended Hubbard model. In contrast to conventional wisdom, odd-frequency spin-triplet pairing can be stabilized near the spin-density-wave critical point. Favorable conditions for the odd-frequency pairing are the presence of geometrical frustration and off-site Coulomb interaction.
We study the single-orbital Hubbard model on the 1/5-depleted square lattice geometry, which arises in such diverse systems as the spin-gap magnetic insulator CaV4O9 and ordered-vacancy iron selenides, presenting new issues regarding the origin of both magnetic ordering and superconductivity in these materials. We find a rich phase diagram that includes a plaquette singlet phase, a dimer singlet phase, a Neel and a block-spin antiferromagnetic phase, and stripe phases. Quantum Monte Carlo simulations show that the dominant pairing correlations at half filling change character from d-wave in th…
Attractive interaction between fermions can lead to pairing and superfluidity in an optical lattice. In contrast to the `continuum', on a lattice the trap induced density variation can generate a non monotonic profile of the pairing amplitude, and completely modify the spectral signatures of any possible pseudogap phase. Using a tool that fully captures the inhomogeneity and strong thermal fluctuations, we demonstrate how the crucial radio frequency signatures of pairing are `inverted' in a trapped attractive fermion lattice compared to the traditional continuum case. These features would be c…
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 …
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…
We propose the two-leg fermion-ladder models for SU(2|2) and SU(4) cases. The former is exactly the extended Hubbard model proposed by Essler, Korepin and Schoutens. The later is a new model also with $η$-pairing symmetry which is important for superconductivity. This new extension of the Hubbard model can be solved exactly.
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 develop Ginzburg-Landau approach to the problem of superconducting pairing with large momentum under screened Coulomb repulsion (eta_K-pairing). Two-component order parameter arising in this scheme can be associated with charge and orbital current degrees of freedom of the relative motion of eta_K-pair corresponding to superconducting and orbital antiferromagnetic ordered states, respectively. All basic features of the phase diagram of cuprate superconductors result directly from the eta_K-pairing concept.
Numerical studies of the Hubbard model and its strong-coupling form, the t-J model, show evidence for antiferromagnetic, d_{x^2-y^2}-pairing and stripe correlations which remind one of phenomena seen in the layered cuprate materials. Here, we ask what these numerical results imply about various scenarios for the pairing mechanism.
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,…
