Ferromagnetic fluctuation and possible triplet superconductivity in NaxCoO2.yH2O: fluctuation-exchange study of the multiorbital Hubbard model

Spin and charge fluctuations and superconductivity in NaxCoO2.yH(2)O are studied based on a multiorbital Hubbard model. Tight-binding parameters are determined to reproduce the results of band calculations. By applying the fluctuation-exchange approximation, we show that the Hund's-rule coupling between the Co t(2g) orbitals causes ferromagnetic (FM) spin fluctuation. Triplet fy((y(2)-3x(2)))-wave and p-wave pairings are favored by this FM fluctuation on the hole-pocket band. We propose that, in NaxCoO2.yH(2)O, the Co t(2g) orbitals and interorbital Hund's-rule coupling play important roles on the triplet pairing, and this compound can be a first example of the triplet superconductor in which the orbital degrees of freedom play substantial roles.     

Coexistence of the on-site and off-site pairing long-range orders in the generalized Hubbard model with bond-charge interaction: Some rigorous results

By using some mathematical techniques developed in our previous work, we prove rigorously that, in some range of parameters, the on-site and the spin singlet s-wave off-site pairing orders are either present or absent simultaneously in the ground state of the generalized Hubbard model with bond-charge interaction. Our results confirm the previous conclusions derived by numerical calculations on small size samples.     

On the theory of superconductivity in the extended Hubbard model

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 T _c by taking into account the pairing mediated by charge and spin fluctuations and phonons. We found the d-wave pairing with high-T _c mediated by spin fluctuations induced by the strong kinematic interaction for the Hubbard operators. Contributions to the d-wave pairing coming from the intersite Coulomb repulsion and phonons turned out to be small.     

Theory of the spin-triplet superconductivity in Sr2RuO4 based on perturbation approach to three-band Hubbard model

We investigate a mechanism of the spin-triplet superconductivity in Sr₂RuO₄ by solving Eliashberg equation for three-band Hubbard model, where the effective pairing interaction is expanded perturbatively up to the third order with respect to the Coulomb integrals and the transition temperature is estimated numerically. The most significant momentum dependence of the effective interaction for the spin-triplet p-wave superconductivity does not originate from that of the spin susceptibility, but is brought by the third order vertex corrections. The results show that the p-wave pairing state is stabilized for not so strong inter-orbit couplings.     

Off-site repulsion-induced triplet superconductivity: a possibility for chiral p(x+y)-wave pairing in Sr2RuO4

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 gamma band of Sr2RuO4, a strong candidate for a 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(xy) dominant. The gap function for the chiral p(x+y)+ip(x-y) has nodes that are consistent with the recent measurement of specific heat in rotated magnetic fields in the ruthenate. This suggests that the off-site repulsion may play an essential role in triplet superconductivity in this material.     

Spin-triplet superconductivity due to antiferromagnetic spin-fluctuation in Sr2RuO4

A mechanism leading to the spin-triplet superconductivity is proposed based on the antiferromagnetic spin-fluctuation. The effects of anisotropy in spin-fluctuation on the Cooper pairing and on the direction of d vector are examined in the one-band Hubbard model with random-phase approximation. The gap equations for the anisotropic case are derived and applied to Sr2RuO4. It is found that a nesting property of the Fermi surface together with the anisotropy leads to the triplet superconductivity with the d = &zcirc;(sink(x)+/-isink(y)), which is consistent with experiments.     

Vortex state in NaxCoO2.yH2O: px+/-ipy-wave versus d(x2-y2)+/-id xy-wave pairing

Based on an effective Hamiltonian specified in the triangular lattice with possible p(x)+/-ip(y)- or dx(2)(-y(2))+/-id(xy)-wave pairing, which has close relevance to the newly discovered Na0.35CoO2.yH(2)O, the electronic structure of the vortex state is studied by solving the Bogoliubov-de Gennes equations. It is found that p(x)+/-ip(y) wave is favored for the electron doping as the hopping integral t<0. The lowest-lying vortex bound states are found to have, respectively, zero and positive energies for p(x)+/-ip(y)- and dx(2)(-y(2))+/-id(xy)-wave superconductors, whose vortex structures exhibit the intriguing sixfold symmetry. In the presence of strong on-site repulsion, the antiferromagnetic order and local ferromagnetic moment are induced around the vortex cores for the former and the latter, respectively, both of which cause the splitting of the local density of states peaks due to the lifting of spin degeneracy.     

Cold attractive spin polarized Fermi lattice gases and the doped positive U Hubbard model

Experiments on polarized fermion gases performed by trapping ultracold atoms in optical lattices allow the study of an attractive Hubbard model for which the strength of the on-site interaction is tuned by means of a Feshbach resonance. Using a well-known particle-hole transformation we discuss how results obtained for this system can be reinterpreted in the context of a doped repulsive Hubbard model. In particular, we show that the Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) state corresponds to the striped state of the two-dimensional doped positive U Hubbard model. We then use the results of numerical studies of the striped state to relate the periodicity of the FFLO state to the spin polarization. We also comment on the relationship of the d(x(2)-y(2)) superconducting phase of the doped 2D repulsive Hubbard model to a d-wave spin density wave state for the attractive case.     

On superconducting pairing in the two-band Hubbard model

A two-band Hubbard model for highly hybridized copper 3d(x ²–y ²) and oxygen 2p(x,y) electrons in CuO₂ plane with strong Coulomb repulsion at copper sites is considered. A real-space pairing mechanism induced by antiferromagnetic interaction of Kondo type is treated. To avoid the Gutzwiller approximation the projection technique for two-time Green functions for Hubbard operators is employed. It is shown that due to rigorous restriction of no double occupancy at copper sites the exchange-mediatedp-d pairing with a site-independent gap function isabsent.     

Theory of high-temperature superconductivity in cuprates

A microscopic theory of electronic spectrum and superconducting pairing in the high-temperature cuprate superconductors is presented. The theory is based on consideration of strong electron correlations within the Bogolyubov polar model. The Dyson equation is derived by using the equation of motion method for the thermodynamic Green functions in terms of the Hubbard operators. The self-energy is evaluated in the noncrossing approximation for electron scattering on spin and charge fluctuations induced by kinematic interaction. The theory demonstrates that a strong Coulomb repulsion results in the anomalous electronic spectrum and unconventional (d-wave) superconducting pairing with high T _c mediated by the antiferromagnetic exchange and spin fluctuations.     

Synergistic polaron formation in the Hubbard-Holstein model at small doping

We study the effect of dynamical Holstein phonons on the physics of the Hubbard model at small doping using the dynamical cluster approximation on a 2x2 cluster. Nonlocal antiferromagnetic correlations are found to significantly enhance the electron-phonon coupling, resulting in polaron formation for moderate coupling strengths. At finite doping, the electron-phonon coupling is found to strongly enhance the nonlocal spin correlations, indicating a synergistic interplay between the electron-phonon coupling and antiferromagnetic correlations. Although it enhances the pairing interaction, the electron-phonon coupling is found to decrease the superconducting transition temperature, due to the reduction in the quasiparticle fraction.     

Flow to strong coupling in the two-dimensional Hubbard model

We extend the analysis of the renormalization group flow in the two-dimensional Hubbard model close to half-filling using the recently developed temperature flow formalism. We investigate the interplay of d-density wave and Fermi surface deformation tendencies with those towards d-wave pairing and antiferromagnetism. For a ratio of next nearest to nearest neighbor hoppings, t'/t = - 0.25, and band fillings where the Fermi surface is inside the Umklapp surface, only the d-pairing susceptibility diverges at low temperatures. When the Fermi surface intersects the Umklapp surface close to the saddle points, d-wave pairing, d-density wave, antiferromagnetic and, to a weaker extent, d-wave Fermi surface deformation susceptibilities grow together when the interactions flow to strong coupling. We interpret these findings as indications for a non-trivial strongly coupled phase with short-ranged superconducting and antiferromagnetic correlations, in close analogy with the spin liquid ground state in the well-understood two-leg Hubbard ladder. Received 23 January 2002     

Superconducting instability in the large-U limit of the two-dimensional Hubbard model

We have investigated numerically the pairing instabilities of Gutzwiller wavefunctions. These are equivalent to a certain form of the resonant valence bond wavefunction. The case considered is a nearly half-filled two dimensional band with interactions given by a Hubbard model with large on-site Coulomb interactions. We find that the paramagnetic normal state is unstable tod-wave pairing but stable againsts-wave pairing. The antiferromagnetic state is marginally stable against both types of pairing. These results can be explained as an interference effect resulting in enhanced antiferromagnetic spin correlation in the paired state.     

Pairing correlations on t-U-J ladders

We find that the pairing correlations on the usual t-U Hubbard ladder are significantly enhanced by the addition of a nearest-neighbor exchange interaction J. Likewise, these correlations are also enhanced for the t-J model when the on-site Coulomb interaction is reduced from infinity. Moreover, the pairing correlations are larger on a t-U-J ladder than on a t-J(eff) ladder in which J(eff) has been adjusted so that the two models have the same spin gap at half filling. This enhancement of the pairing correlations is associated with an increase in the pair-binding energy and the pair mobility in the t-U-J model and points to the importance of the charge-transfer nature of the cuprate systems.     

A microscopic model for the intrinsic Josephson tunneling in high- superconductors

A quantitative analysis of a microscopic model for the intrinsic Josephson effect in high-temperature superconductors based on interlayer tunneling is presented both within a mean-field BCS evaluation and a numerically essentially exact Quantum Monte-Carlo study. The pairing correlations in the CuO₂-planes are modelled by a 2D Hubbard model with attractive interaction, a model which accounts well for some of the observed features such as the short planar coherence length. The stack of Hubbard planes is arranged on a torus, which is threaded by a magnetic flux. The current perpendicular to the planes is calculated as a function of applied flux (i.e. the phase), and - after careful elimination of finite-size effects due to single-particle tunneling - found to display a sinusoidal field dependence in accordance with interlayer Josephson tunneling. Studies of the temperature dependence of the supercurrent reveal at best a mild elevation of the Josephson transition temperature compared to the planar Kosterlitz-Thouless temperature. These and other results on the dependence of the model parameters are compared with a standard BCS evaluation. Received: 24 February 1998 / Revised: 28 April 1998 / Accepted: 23 June 1998     

Numerical Results for the Hubbard Model: Implications for the High Tc Pairing Mechanism

Numerical studies of the Hubbard model and its strong-coupling form, the t-J model, show evidence for antiferromagnetic, -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.     

Unusually flat hole dispersion relation in the two-dimensional Hubbard model and restoration of coherence by addition of pair-hopping processes

The dispersion relation of a doped hole in the half-filled 2D Hubbard model is shown to follow a law around the and points in the Brillouin zone. Upon addition of pair-hopping processes this dispersion relation is unstable towards a law. The above follows from T=0 Quantum Monte-Carlo calculations of the single particle spectral function on lattices. We discuss finite dopings and argue that the added term restores coherence to charge dynamics and drives the system towards a d _{x2 - y2} superconductor. Received 22 March 1999     

Absence of superconductivity in the half-filled band Hubbard model on the anisotropic triangular lattice

We report exact calculations of magnetic and superconducting pair-pair correlations for the half-filled band Hubbard model on an anisotropic triangular lattice. Our results for the magnetic phases are similar to those obtained with other techniques. The superconducting pair-pair correlations at distances beyond nearest neighbor decrease monotonically with increasing Hubbard interaction U for all anisotropy, indicating the absence of frustration-driven superconductivity within the model.     

Test for pairing symmetry based on spin fluctuations in the organic superconductor kappa-(BEDT-TTF)2X

We propose that the superconducting pairing symmetry of organic superconductors kappa-(BEDT-TTF)2X can be determined by measuring the position in momentum space of the incommensurate peaks of the spin susceptibility. Using the weak coupling BCS theory and including the many-body effects via the random-phase approximation for the Hubbard model on an anisotropic triangular lattice, we show that the position of these peaks is uniquely determined by the pairing symmetry of the superconducting state and the geometry of the Fermi surface. We demonstrate the different incommensurate patterns of spin responses for d(x(2)-y(2-)) and d(xy)-like pairing states. In addition, we find that there is no spin resonance mode in the reasonable range of parameters discussed.     

Ground state pairing correlation competes in the doped triangular lattice Hubbard model

By using the constrained path quantum Monte carlo method, we study the ground state paring correlations in the t ? U ? V Hubbard model on the triangular lattice. It is shown that pairings with various symmetries dominate in different electron filling regions. The pairing correlation with fn-wave symmetry dominates over other pairings around half fillings, and as the electron filling decreases away from the half filling, the d + id-wave pairing correlation tends to dominate. As the electron filling is bellow the Van Hove singularity, the f-wave pairing dominates. These crossovers are due to the interplay of electronic correlation and geometric frustration, associating with the competition between the antiferromagnetic correlations and ferromagnetic fluctuations. Our findings reveal the possible magnetic origin of superconductivity, and also provide useful information for the understanding of superconductivity in Na _x CoO₂·H₂O and the organic compounds.