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.     

Spin-triplet superconductivity induced by off-site Coulomb interaction in a triangular lattice

In order to study how superconductivity emerges when the charge fluctuation coexists with the spin fluctuation in a triangular lattice, we obtain a phase diagram against the nearest-neighbor Coulomb repulsion V and band filling n on the extended Hubbard model using the fluctuation exchange (FLEX) approximation. We find that a charge density wave (CDW) phase exists in the region where the value of V is large, and the f-wave spin-triplet pairing mediated by a strong charge fluctuation is dominant near the CDW phase.     

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.     

Kinematic spin-fluctuation mechanism of high-temperature superconductivity

We study d-wave superconductivity in the extended Hubbard model in the strong correlation limit for a large intersite Coulomb repulsion V. We argue that in the Mott-Hubbard regime with two Hubbard subbands, there emerges a new energy scale for the spin-fluctuation coupling of electrons of the order of the electron kinetic energy W much larger than the exchange energy J. This coupling is induced by the kinematic interaction for the Hubbard operators, which results in the kinematic spin-fluctuation pairing mechanism for V ? W. The theory is based on the Mori projection technique in the equation of motion method for the Green’s functions in terms of the Hubbard operators. The doping dependence of the superconductivity temperature T _c is calculated for various values of U and V.     

Evidence for d-wave superconductivity in the repulsive Hubbard model

We perform numerical simulations of the Hubbard model using the projector Quantum Monte Carlo method. A novel approach for finite size scaling is discussed. We obtain evidence in favor of d-wave superconductivity in the repulsive Hubbard model. For U=4, is roughly estimated as K. Received 8 September 1998     

The competition and coexistence of antiferromagnetism and <Emphasis Type="Italic">d</Emphasis>-wave superconductivity: probing coupled thermal fluctuations in a two dimensional minimal model

We consider the coexistence of antiferromagnetism and d-wave superconductivity, motivated by what one observes in the quasi-two dimensional organic salts. We study an electronic model that approximates some features of the Hubbard model, e.g., a repulsion that promotes local moments and Neel order, and an attractive intersite density–density coupling that promotes d-wave superconductivity. Staying at half-filling and a fixed attractive interaction we probe the effect of varying repulsion, using mean field theory for the ground state but retaining the full O(3) × U(1) spectrum of classical fluctuations at finite temperature. The ground state is superconducting at weak repulsion, a Neel ordered insulator at large repulsion, and a coexistence of the two orders in the intermediate regime. We observe four distinct kinds of thermal behaviour depending on the strength of repulsion. Starting with weak repulsion these are, first, a d-wave superconductor renormalised by magnetic fluctuations, second, a d-wave state transiting to an antiferromagnetic insulator and then to the normal state, third, a coexistent state transiting to the antiferromagnetic insulator and then the normal state, and, fourth, a Neel ordered insulator with weak pairing fluctuations. The low temperature state is either “nodal” or gapped, due to long range order, and the low energy spectral weight generally increases monotonically with temperature. At intermediate repulsion, however, the transition from the d-wave state to Neel antiferromagnet causes a loss of low energy weight which is gradually regained only at high temperature.     

Odd-frequency superconductivity on quasi-one-dimensional triangular lattice in the Hubbard model

We study the superconductivity in the Hubbard model on quasi-one-dimensional triangular lattice using random phase approximation (RPA). We find that odd-frequency spin-singlet p-wave pairing can be realized on isosceles quasi-one-dimensional triangular lattice.     

A possible spin-fluctuation mechanism in the emergence of superconductivity in a region of magnetic instability, using the example of PuCoGa5

The spin-fluctuation superconductivity mechanism of strongly correlated d-f electrons is considered within the Hubbard model. It is shown that the emergence of superconductivity is possible under conditions of strong spin anharmonicity. Evaluations of the superconductivity temperature in the model developed for the electron structure of PuCoGa₅ agree with the experimental data.     

Exchange and spin-fluctuation mechanisms of superconductivity in cuprates

A microscopic theory of superconductivity is considered in the framework of the Hubbard p-d model for the CuO₂ plane. The Dyson equation is derived in the nonintersecting diagram approximation using the projection technique for the matrix Green function of the Hubbard operator. The solution of the equation for the superconducting gap shows that interband transitions for Hubbard subbands lead to antiferromagnetic exchange pairing as in the t-J model, while intraband transitions additionally lead to spin-fluctuation pairing of the d-wave type. The calculated dependences of the superconducting transition temperature on the hole concentration and of the gap on the wave vector are in qualitative agreement with experiments.     

Role of charge fluctuation in Q1D organic superconductor (TMTSF)2ClO4

We have theoretically investigated the spin and charge fluctuations in the quasi-one dimensional organic superconductor (TMTSF)₂ClO₄. Using the extended multi-site Hubbard model, which contains four sites in a unit cell and the transfer energies obtained by the extended Hückel method, we calculate the linearized gap equation with the random phase approximation, to find novel order parameters of superconductivity due to several kinds of charge fluctuations induced by the anisotropic intersite repulsive interactions. For the singlet state, the order parameter with line nodes appears in the case of the strong charge fluctuation, while the order parameter with anisotropic gap suggested by Shimahara is reproduced in the spin fluctuation. The triplet state is also obtained for the wide parameter range of repulsive interactions due to a cooperation between charge and spin fluctuations.     

Mott transition, antiferromagnetism, and d-wave superconductivity in two-dimensional organic conductors

We study the Mott transition, antiferromagnetism, and superconductivity in layered organic conductors using the cellular dynamical mean-field theory for the frustrated Hubbard model. A d-wave superconducting phase appears between an antiferromagnetic insulator and a metal for t'/t=0.3-0.7 or between a nonmagnetic Mott insulator (spin liquid) and a metal for t'/t>or=0.8, in agreement with experiments on layered organic conductors including kappa-(ET)2Cu2(CN)3. These phases are separated by a strong first-order transition. The phase diagram gives much insight into the mechanism for -wave superconductivity. Two predictions are made.     

Topological superconductivity and the fractional Josephson effect in quasi-one dimensional wires on a plane

A time-reversal invariant topological superconductivity is suggested to be realized in a quasi-one-dimensional structure on a plane, which is fabricated by filling the superconducting materials into the periodic channel of dielectric matrices like zeolite and asbestos under high pressure. The topological superconducting phase sets up in the presence of large spin–orbit interactions when intra-wire s-wave and inter-wire d-wave pairings take place. Kramers pairs of Majorana bound states emerge at the edges of each wire. We analyze effects of the Zeeman magnetic field on Majorana zero-energy states. In-plane magnetic field was shown to make asymmetric the energy dispersion, nevertheless Majorana fermions survive due to protection of a particle–hole symmetry. Tunneling of Majorana quasiparticle from the end of one wire to the nearest-neighboring one yields edge fractional Josephson current with 4π-periodicity.     

Orbitally induced spin-charge modulation and pseudogap formation in the high-Tc superconductors

On the basis of unrestricted Hartree–Fock calculations on multi-orbital d–p Hamiltonians for a CuO layer and an FeAs layer, we give a qualitative discussion on the interplay between band Jahn–Teller effect and spin (and/or charge) density wave in the CuO and FeAs layers. In addition, we argue the relationship between the spin density wave, the pseudogap, and the superconductivity.     

Theory of dual fermion superconductivity in hole-doped cuprates

Since the discovery of the cuprate high-temperature superconductivity in 1986, a universal phase diagram has been constructed experimentally and numerous theoretical models have been proposed. However, there remains no consensus on the underlying physics thus far. Here, we theoretically investigate the phase diagram of hole-doped cuprates based on an itinerant-localized dual fermion model, with the charge carriers doped on the oxygen sites and localized holes on the copper d _{x2 ? y2} orbitals. We analytically demonstrate that the puzzling anomalous normal state or the strange metal could simply stem from a free Fermi gas of carriers bathing in copper antiferromagnetic spin fluctuations. The short-range high-energy spin excitations also act as the “magnetic glue” of carrier Cooper pairs and induce d-wave superconductivity from the underdoped to overdoped regime, distinctly different from the conventional low-frequency magnetic fluctuation mechanism. We further sketch out the characteristic dome-shaped critical temperature T _c versus doping level. The emergence of the pseudogap is ascribed to the localization of partial carriers coupled to the local copper moments or a crossover from the strange metal to a nodal Kondo-like insulator. Our work provides a consistent theoretical framework to understand the typical phase diagram of hole-doped cuprates and paves a distinct way to the studies of both non-Fermi liquid and unconventional superconductivity in strongly correlated systems.     

Exact quantum critical points and phase separation instabilities in Betts Hubbard nanoclusters

Spontaneous phase separation instabilities with the formation of various types of charge and spin pairing (pseudo)gaps in U>0 Hubbard model including the next nearest neighbor coupling are calculated with the emphasis on the two-dimensional (square) lattices generated by 8- and 10-site Betts unit cells. The exact theory yields insights into the nature of quantum critical points, continuous transitions, dramatic phase separation instabilities and electron condensation in spatially inhomogeneous systems. The picture of coupled antiparallel (singlet) spins and paired charged holes suggests full Bose condensation and coherent pairing in real space at zero temperature of electrons complied with the Bose-Einstein statistics. Separate pairing of charge and spin degrees at distinct condensation temperatures offers a new route to superconductivity different from the BCS scenario. The conditions for spin liquid behavior coexisting with unsaturated and saturated Nagaoka ferromagnetism due to spin-charge separation are established. The phase separation critical points and classical criticalities found at zero and finite temperatures resemble a number of inhomogeneous, coherent and incoherent nanoscale phases seen near optimally doped high-T_c cuprates, pnictides and CMR nanomaterials.     

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.     

Superconductivity with s and p symmetries in an extended Hubbard model with correlated hopping

We consider a generalized Hubbard model with on-site and nearest-neighbour repulsions U and V respectively, and nearest-neighbour hopping for spin up (down) which depends on the total occupation n_b of spin down (up) electrons on both sites involved. The hopping parameters are t _AA , t_AB and t_BB for n _b =0,1,2 respectively. We briefly summarize results which support that the model exhibits s-wave superconductivity for certain parameters and extend them by studying the Berry phases. Using a generalized Hartree-Fock(HF) BCS decoupling of the two and three-body terms, we obtain that at half filling, for t _AB <t _AA =t _BB and sufficiently small U and V the model leads to triplet p-wave superconductivity for a simple cubic lattice in any dimension. In one dimension, the resulting phase diagram is compared with that obtained numerically using two quantized Berry phases (topological numbers) as order parameters. While this novel method supports the previous results, there are quantitative differences. Received: 2 February 1998 / Accepted: 17 March 1998     

Superconductivity enhanced by d-density wave: A weak-coupling theory

Making a revision of mistakes in Ref. [19], we present a detailed study of the competition and interplay between the d-density wave (DDW) and d-wave superconductivity (DSC) within the fluctuation-exchange (FLEX) approximation for the two-dimensional (2D) Hubbard model. In order to stabilize the DDW state with respect to phase separation at lower dopings a small nearest-neighbor Coulomb repulsion is included within the Hartree-Fock approximation. We solve the coupled gap equations for the DDW, DSC, and π-pairing as the possible order parameters, which are caused by exchange of spin fluctuations, together with calculating the spin fluctuation pairing interaction self-consistently within the FLEX approximation. We show that even when nesting of the Fermi surface is perfect, as in a square lattice with only nearest-neighbor hopping, there is coexistence of DSC and DDW in a large region of dopings close to the quantum critical point (QCP) at which the DDW state vanishes. In particular, we find that in the presence of DDW order the superconducting transition temperature T_c can be much higher compared to pure superconductivity, since the pairing interaction is strongly enhanced due to the feedback effect on spin fluctuations of the DDW gap. π-pairing appears generically in the coexistence region, but its feedback on the other order parameters is very small. In the present work, we have developed a weak-coupling theory of the competition between DDW and DSC in 2D Hubbard model, using the static spin fluctuation obtained within FLEX approximation and ignoring the self-energy effect of spin fluctuations. For our model calculations in the weak-coupling limit we have taken U/t=3.4, since the antiferromagnetic instability occurs for higher values of U/t.     

A real space approach to study the effect of off-diagonal disorder on superconductivity

We present an efficient numerical methodology to study the effect of off-diagonal randomness on superconductivity. This is a real space approach using Bogoliubov-de-Gennes (BdG) method coupled with augmented space vector recursion (ASVR) technique for disorder averaging. We find in the presence of off-diagonal randomness s-wave superconductivity is favoured by greater hopping integral strength between similar species as compared to that between dissimilar ones and d-wave superconductivity is suppressed by off-diagonal randomness much like diagonal randomness. Combined diagonal and off-diagonal randomness leads to asymmetry in both the normal as well as the superconducting densities of states.