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.     

A brief review on <Emphasis Type="Italic">μ</Emphasis>SR studies of unconventional Fe- and Cr-based superconductors

Muon spin relaxation/rotation (μSR) is a vital technique for probing the superconducting gap structure, pairing symmetry and time reversal symmetry breaking, enabling an understanding of the mechanisms behind the unconventional superconductivity of cuprates and Fe-based high-temperature superconductors, which remain a puzzle. Very recently double layered Fe-based super- conductors having quasi-2D crystal structures and Cr-based superconductors with a quasi-1D structure have drawn considerable attention. Here we present a brief review of the characteristics of a few selected Fe- and Cr-based superconducting materials and highlight some of the major outstanding problems, with an emphasis on the superconducting pairing symmetries of these materials. We focus on μSR studies of the newly discovered superconductors ACa₂Fe₄As₄F₂ (A = K, Rb, and Cs), ThFeAsN, and A₂Cr₃As₃ (A = K, Cs), which were used to determine the superconducting gap structures, the presence of spin fluctuations, and to search for time reversal symmetry breaking in the superconducting states. We also briefly discuss the results of μSR investigations of the superconductivity in hole and electron doped BaFe₂As₂.     

Analytical assessment of some characteristic ratios for <Emphasis Type="Italic">s</Emphasis>-wave superconductors

We evaluate some thermodynamic quantities and characteristic ratios that describe low- and high-temperature s-wave superconducting systems. Based on a set of fundamental equations derived within the conformal transformation method, a simple model is proposed and studied analytically. After including a one-parameter class of fluctuations in the density of states, the mathematical structure of the s-wave superconducting gap, the free energy difference, and the specific heat difference is found and discussed in an analytic manner. Both the zero-temperature limit T = 0 and the subcritical temperature range T ? T_c are discussed using the method of successive approximations. The equation for the ratio R₁, relating the zero-temperature energy gap and the critical temperature, is formulated and solved numerically for various values of the model parameter. Other thermodynamic quantities are analyzed, including a characteristic ratio R₂, quantifying the dynamics of the specific heat jump at the critical temperature. It is shown that the obtained model results coincide with experimental data for low-T_c superconductors. The prospect of application of the presented model in studies of high-T_c superconductors and other superconducting systems of the new generation is also discussed.     

Coulomb repul sion of hole s and competition between $${d_{{x^2} - {y^2}}}$$ -wave and s-wave paring s in cuprate superconductor s

The effect of the Coulomb repulsion of holes on the Cooper instability in an ensemble of spin–polaron quasiparticles has been analyzed, taking into account the peculiarities of the crystallographic structure of the CuO₂ plane, which are associated with the presence of two oxygen ions and one copper ion in the unit cell, as well as the strong spin–fermion coupling. The investigation of the possibility of implementation of superconducting phases with d-wave and s-wave of the order parameter symmetry has shown that in the entire doping region only the d-wave pairing satisfies the self-consistency equations, while there is no solution for the s-wave pairing. This result completely corresponds to the experimental data on cuprate HTSC. It has been demonstrated analytically that the intersite Coulomb interaction does not affect the superconducting d-wave pairing, because its Fourier transform V _q does not appear in the kernel of the corresponding integral equation.     

Coexistence of superconducting and spiral spin orders: Models of ruthenate

The effect of a spiral spin structure on superconducting (SC) pairing in a three-band Hubbard model related to Sr₂RuO₄ is analyzed in the mean-field approximation. Such a structure with incommensurate vector Q=2π (1/3, 1/3) is the simplest one that removes the nesting instability of α and β bands. It is assumed that there is an intralayer pairing interaction between two types of neighbor sites, those with attraction in a singlet channel and with attraction in both two-singlet and triplet channels. In both cases, a mixed singlet-triplet SC order is observed in the γ band: a d-wave singlet order is accompanied by the formation of p-wave triplet pairs (k,-k-Q)? and (k,?k+Q)? with large total momenta ?Q and the spin projections ±1 onto an axis perpendicular to the spin rotation plane of the spiral spin structure. Both the SC and normal states are states with broken time-reversal symmetry. In contradiction to the experiment, the models give different scales of T _c for the γ band and for α and β bands. This fact shows that the models with intralayer interactions or with the spin structure assumed are insufficient.     

Effect of incommensurate potential on the resonant tunneling through Majorana bound states on the topological superconductor chains

We study the transport through the Kitaev chain with incommensurate potentials coupled to two normal leads by the numerical operator method. We find a quantized linear conductance of e ² / h, which is independent to the disorder strength and the gate voltage in a wide range, signaling the Majorana bound states. While the incommensurate potential suppresses the current at finite voltage bias, and then narrows the linear response regime of the I-V curve which exhibits two plateaus corresponding to the superconducting gap and the band edge, respectively. The linear conductance abruptly drops to zero as the disorder strength reaches the critical value 2g _s + 2Δ with Δ the p-wave pairing amplitude and g _s the hopping between neighbor sites, corresponding to the transition from the topological superconducting phase to the Anderson localized phase. Changing the gate voltage also causes an abrupt drop of the linear conductance by driving the chain into the topologically trivial superconducting phase, whose I-V curve exhibits an exponential shape.     

On the superconducting gap dispersion in hole-doped cuprates

Solutions of the equation for the superconducting gap including superexchange, spin–fluctuation, plasmon, and phonon pairing mechanisms are obtained. Solutions of the Bardeen–Cooper–Schrieffer equation are approximated by the expression Δ_k = Δ₀(B cos(2?) + (1 ? B)cos(6?) at a carrier concentration close to optimal. It is found that the dependence proportional to cos(6?) is due to the spin–fluctuation and phononmediated interactions.     

Extended s-wave pairing symmetry on the triangular lattice heavy fermion system

We investigate the pairing symmetry of the Kondo-Heisenberg model on triangular lattice, which is believed to capture the core competition of Kondo screening and local magnetic exchange interaction in heavy electron compounds. On the dominant background of the heavy fermion state, the introduction of the Heisenberg antiferromagnetic interaction (J _H ) leads to superconducting pairing instability. Depending on the strength of the interactions, it is found that the pairing symmetry favours an extended s-wave for small J _H and high conduction electron density but a chiral \(d_{x^2 - y^2 } + id_{xy}\)-wave for large J _H and low conduction electron density, which provides a phase diagram of pairing symmetry from the calculations of the ground-state energy. The transition between these two pairing symmetries is found to be first-order. Furthermore, we also analyze the phase diagram from the pairing strengths and find that the phase diagram obtained is qualitatively consistent with that based on the ground-state energy. In addition, we propose an effective single-band BCS Hamiltonian, which is able to describe the low-energy thermodynamic behaviors of the heavy fermion superconducting states. These results further deepen the understanding of the antiferromagnetic interaction which results in a geometric frustration for the model studied. Our work may provide a possible scenario to understand the pairing symmetry of the heavy fermion superconductivity, which is one of active issues in very recent years.     

Robustness of <Emphasis Type="Italic">s</Emphasis>-wave pairing symmetry in iron-based superconductors and its implications for fundamentals of magnetically driven high-temperature superconductivity

Based on the assumption that the superconducting state belongs to a single irreducible representation of lattice symmetry, we propose that the pairing symmetry in all measured iron-based superconductors is generally consistent with the A _1g s-wave. Robust s-wave pairing throughout the different families of iron-based superconductors at different doping regions signals two fundamental principles behind high-T _c superconducting mechanisms: (i) the correspondence principle: the short-range magnetic-exchange interactions and the Fermi surfaces act collaboratively to achieve high-T _c superconductivity and determine pairing symmetries; (ii) the magnetic-selection pairing rule: superconductivity is only induced by the magnetic-exchange couplings from the super-exchange mechanism through cation-anion-cation chemical bonding. These principles explain why unconventional high-T _c superconductivity appears to be such a rare but robust phenomena, with its strict requirements regarding the electronic environment. The results will help us to identify new electronic structures that can support high-T _c superconductivity.     

Conditions for implementation of the superconducting phase of copper oxides with consideration of three-site interactions and spin fluctuations

The concentration dependence of the transition temperature to the superconducting phase is calculated within the t – t' – t" – J* model, which takes into account tree-site interactions. It is shown that the processes of scattering by spin fluctuations qualitatively change the character of the concentration dependences T _c (n). These scattering processes in the normal phase significantly modify the distribution function of Hubbard fermions, determining the pronounced non-Fermi-liquid behavior of the system.     

Theoretical studies of superconductivity in doped BaCoSO

We investigate superconductivity that may exist in the doped BaCoSO, a multi-orbital Mott insulator with a strong antiferromagnetic ground state. The superconductivity is studied in both t-J type and Hubbard type multi-orbital models by mean field approach and random phase approximation (RPA) analysis. Even if there is no C₄ rotational symmetry, it is found that the system still carries a d-wave like pairing symmetry state with gapless nodes and sign changed superconducting order parameters on Fermi surfaces. The results are largely doping insensitive. In this superconducting state, the three \({t_{{2_g}}}\) orbitals have very different superconducting form factors in momentum space. In particular, the intra-orbital pairing of the \({d_{{x^2} - {y^2}}}\) orbital has an s-wave like pairing form factor. The two methods also predict very different pairing strength on different parts of Fermi surfaces. These results suggest that BaCoSO and related materials can be a new ground to test and establish fundamental principles for unconventional high temperature superconductivity.     

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.     

The importance of electron correlation in graphene and hydrogenated graphene

Local density approximation (LDA) and Green function effective Coulomb (GW) calculations are performed to investigate the effect of electronic correlations on the electronic properties of both graphene and graphane. The size of band gap in graphane increases from 3.7 eV in LDA to 4.9 eV in GW approximation. By calculating maximally localized Wannier wave functions, we evaluate the necessary integrals to get the Hubbard U and the exchange J interaction from first principles for both graphene and graphane. Our ab-initio estimates indicate that in the case of graphene, in addition to the hopping amplitude t ～ 2.8 eV giving rise to the Dirac nature of low lying excitations, the Hubbard U value of ～8.7 eV gives rise to a super-exchange strength of J _AFM ～ 3.5 eV. This value dominates over the direct (ferromagnetic) exchange value of J _FM ～ 1.6 eV. This brings substantial Mott-Heisenberg aspects into the problem of graphene. Moreover, similarly large values of the Hubbard and super-exchange strength in graphane suggests that the nature of gap in graphane has substantial Mott character.     

Photoinduced Local Nonequilibrium States in Superconductors: Hot Spot Model

The so-called hot spot model is often used to study problems concerning the local heating of electrons and phonons and local suppression of superconductivity by electromagnetic radiation. This model implies that the dynamics of a system in a certain time interval can be described by a locally equilibrium electron distribution function, but the electron temperature T_e differs from the equilibrium value. Such an assumption makes it possible to use the heat equation to study the temporal and spatial dynamics of T_e and significantly simplifies the study of the dynamic response of a superconductor. Examples of the use of this model to describe nonequilibrium effects occurring in systems with different types of superconducting pairing under electromagnetic irradiation have been presented in this work.     

Fragmentation of bands and Fermi surfaces in cuprate stripe phases

The band structure and evolution of the Fermi surfaces of stripe phases were studied using the t-t′-U Hubbard model in the mean field approximation. The appearance of quasi-one-dimensional “impurity” subbands caused by the localization of particles on domain walls inside the Hubbard gap is confirmed. Among vertical stripe phases parallel to y bonds, the Y₈ and Y₄ structures with distances l = 8a and 4a between domain walls were found to be stable. Fermi surface segments in antinodal or nodal directions were shown to correspond to an “ impurity” band or the main band related to the entire antiferromagnetic domain region. This is a probable explanation of the difference in the properties of ARPES spectra at different Fermi surface regions observed for La_2?xSr_xCuO₄. It was shown for the Y₈ structure that the topology of the Fermi surface changed and an isotropic pseudogap opened at the point corresponding to a p = 1/8 doping level. Attempts at relating this property to the anomalous suppression of T _c in LSCO at p = 1/8 encountered difficulties. The low dispersion of the impurity band and the wide gap separating it from the lower Hubbard band in diagonal stripe phases formed at p < 0.05 create prerequisites for the existence of the insulating state at nonzero doping.     

Temperature Dependence of the Upper Critical Field in Disordered Hubbard Model with Attraction

We study disorder effects upon the temperature behavior of the upper critical magnetic field in an attractive Hubbard model within the generalized DMFT+Σ approach. We consider the wide range of attraction potentials U—from the weak coupling limit, where superconductivity is described by BCS model, up to the strong coupling limit, where superconducting transition is related to Bose–Einstein condensation (BEC) of compact Cooper pairs, formed at temperatures significantly higher than superconducting transition temperature, as well as the wide range of disorder—from weak to strong, when the system is in the vicinity of Anderson transition. The growth of coupling strength leads to the rapid growth of H_c2(T), especially at low temperatures. In BEC limit and in the region of BCS–BEC crossover H_c2(T), dependence becomes practically linear. Disordering also leads to the general growth of H_c2(T). In BCS limit of weak coupling increasing disorder lead both to the growth of the slope of the upper critical field in the vicinity of the transition point and to the increase of H_c2(T) in the low temperature region. In the limit of strong disorder in the vicinity of the Anderson transition localization corrections lead to the additional growth of H_c2(T) at low temperatures, so that the H_c2(T) dependence becomes concave. In BCS–BEC crossover region and in BEC limit disorder only slightly influences the slope of the upper critical field close to T _c . However, in the low temperature region H_c2 (T may significantly grow with disorder in the vicinity of the Anderson transition, where localization corrections notably increase H_c2 (T = 0) also making H_c2(T) dependence concave.     

Nonlinear generation of vorticity in thin smectic films

The energy levels of the fermions bound to the vortex are considered for vortices in the superfluid/superconducting systems that contain the symmetry protected plane of zeroes in the gap function in bulk. The Caroli–de Gennes–Matricon branches with different approach zero energy level at p_z → 0. The density of states of the bound fermions diverges at zero energy giving rise to the \(\sqrt \Omega \) dependence of the density of states in the polar phase of superfluid ³He rotating with the angular velocity Ω and to the \(\sqrt B \) dependence of the density of states for superconductors in the (d_xz + id_yz)-wave pairing state.     

Cascade of Quantum Transitions and Magnetocaloric Anomalies in an Open Nanowire

A sequence of magnetocaloric anomalies occurring with the change in a magnetic field H is predicted for an open nanowire with the Rashba spin–orbit coupling and the induced superconducting pairing potential. The nature of such anomalies is due to the cascade of quantum transitions related to the successive changes in the fermion parity of the nanowire ground state with the growth of the magnetic field. It is shown that the critical H_c values fall within the parameter range corresponding to the nontrivial values of the Z₂ topological invariant of the corresponding 1D band Hamiltonian characteristic of the D symmetry class. It is demonstrated that such features in the behavior of the open nanowire are retained even in the presence of Coulomb interactions.     

Effect of spin crossovers on the Mott-Hubbard transition at high pressures

The effect of spin crossovers in d _n terms on the effective Hubbard parameter (U _eff) determining the gap between the lower and upper Hubbard bands is analyzed using a many-electron approach to describe the electron structure of Mott insulators. A new mechanism of the insulator-metal transition is established for d ⁵ ions, which is related to a decrease in U _eff caused by spin crossover. For other ions, the U _eff value is either independent of pressure (d ², d ⁴, d ⁷) or it exhibits nonmonotonic growth (d ³, d ⁶, d ⁸).     

Kohärenzeffekte in Doppelschichten aus verschiedenen Supraleitern

Films of lead are deposited on a superconducting substrate. The transition temperatureT _c of this sandwich is measured as a function of the lead thicknessD _Pb . In different experiments the properties (thickness, transition temperature, mean free path of electrons) of the substrate are varied. It is especially interesting that the initial slope (small lead thickness) of theT _c (D _Pb )-curve is independent of the electronic mean free path of the superconducting substrate and inversely proportional to its thickness. The results for different thicknesses of the components in the system indium — lead can be well described by a theory ofdeGennes andWerthamer.