Models of bands and Fermi surfaces for electron-doped cuprates

The properties of Fermi surfaces and electron bands in electron-doped cuprates have been studied. The possible origins of a hole pocket in the nodal direction and a pseudogap at hot spots are discussed, including stripe phases and double bands in an antiferromagnetically correlated Fermi liquid. Within the framework of the mean field method, it is shown that both t-t′-t″-U Hubbard model solutions with a homogeneous antifer-romagnetic spin structure and those with a diagonal stripe structure can reproduce the fragmentar character of the Fermi surface. The appearance of hole pockets in various structures is related either to states in the lower Hubbard band or to states localized on domain walls. The behavior of a gap at the leading edge of the energy distribution of photoelectrons and its dependence on oxygen removal in the course of annealing are considered.     

Manifestations of the pseudogap and superconducting gap of cuprates in photoemission

The degree to which the interpretation of the existence of a pseudogap and a superconducting gap in cuprates on the basis t-t′-U the Hubbard-model corresponds to the data obtained from the photoemission spectra is discussed. The pseudogap in the model is interpreted as the work function of electrons from the insulating parts of the Brillouin zone boundary. On this basis one can explain the angle dependence of the gap measured in the photoemission spectra and its evolution on changes in doping and temperature. In particular, an explanation is found for the decline in the ratio of the angle derivative of the gap near the site, v _Δ = (1/2)dΔ(?)/d?, to the maximum value of the gap, Δ_max, with decreasing doping. That behavior and the different temperature dependence of the gap Δ(?) for different angles are due to the presence of two contributions to Δ with different anisotropies—from the pseudogap and from the superconducting gap. The calculation of the spectral functions confirms the sharp Fermi boundary observed in the direction and the smeared edge of the distribution along the path Γ(0, 0)-M(π, 0)-Y(π, π).     

Strongly correlated superconductivity and pseudogap phase near a multiband Mott insulator

Near a Mott transition, strong electron correlations may enhance Cooper pairing. This is demonstrated in the dynamical mean field theory solution of a twofold-orbital degenerate Hubbard model with an inverted on-site Hund rule exchange, favoring local spin-singlet configurations. Close to the Mott insulator (which here is a local version of a valence bond insulator) a pseudogap non-Fermi-liquid metal, a superconductor, and a normal metal appear, in striking similarity with the physics of cuprates. The strongly correlated s-wave superconducting state has a larger Drude weight than the corresponding normal state. The role of the impurity Kondo problem is underscored.     

Thermodynamics and phase diagram of high temperature superconductors

Thermodynamic quantities are derived for superconducting and pseudogap regimes by taking into account both amplitude and phase fluctuations of the pairing field. In the normal (pseudogap) state of the underdoped cuprates, two domains have to be distinguished: near the superconducting region, phase correlations are important up to temperature T(phi). Above T(phi), the pseudogap region is determined only by amplitudes, and phases are uncorrelated. Our calculations show excellent quantitative agreement with specific heat and magnetic susceptibility experiments on cuprates. We find that the mean field temperature T0 has a similar doping dependence as the pseudogap temperature T(*), whereas the pseudogap energy scale is given by the average amplitude above T(c).     

Mott physics, sign structure, ground state wavefunction, and high-T c superconductivity

In this article I give a pedagogical illustration of why the essential problem of high-T _c superconductivity in the cuprates is about how an antiferromagnetically ordered state can be turned into a short-range state by doping. I will start with half-filling where the antiferromagnetic ground state is accurately described by the Liang-Doucot-Anderson (LDA) wavefunction. Here the effect of the Fermi statistics becomes completely irrelevant due to the no double occupancy constraint. Upon doping, the statistical signs reemerge, albeit much reduced as compared to the original Fermi statistical signs. By precisely incorporating this altered statistical sign structure at finite doping, the LDA ground state can be recast into a short-range antiferromagnetic state. Superconducting phase coherence arises after the spin correlations become short-ranged, and the superconducting phase transition is controlled by spin excitations. I will stress that the pseudogap phenomenon naturally emerges as a crossover between the antiferromagnetic and superconducting phases. As a characteristic of non Fermi liquid, the mutual statistical interaction between the spin and charge degrees of freedom will reach a maximum in a high-temperature ??strange metal phase?? of the doped Mott insulator.     

Short-range spin correlations and pseudogap in underdoped cuprates

In this paper we show that local spin-singlet amplitude with d-wave symmetry can be induced by short-range spin correlations even in the absence of pairing interactions. In the present scenario for the pseudogap, the normal state pseudogap is caused by the induced local spin-singlet amplitude due to short-range spin correlations, which compete in the low energy sector with superconducting correlations to make T_c go to zero near half-filling.     

Gossamer superconductivity

A new superconducting Hamiltonian is introduced for which the exact ground state is the Anderson resonating valence bond. It differs from the t–J and Hubbard Hamiltonians in possessing a powerful attractive force. Its superconducting state is characterized by a full and intact d-wave tunnelling gap, quasiparticle photoemission intensities that are strongly suppressed, a suppressed superfluid density, and an incipient Mott–Hubbard gap.     

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.     

Non-Fermi-liquid behavior and d-wave superconductivity near the charge-density-wave quantum critical point

A scenario is presented, in which the presence of a quantum critical point due to formation of incommensurate charge density waves accounts for the basic features of the high temperature superconducting cuprates, both in the normal and in the superconducting states. Specifically, the singular interaction arising close to this charge-driven quantum critical point gives rise to the non-Fermi liquid behavior universally found at optimal doping. This interaction is also responsible for d-wave Cooper pair formation with a superconducting critical temperature strongly dependent on doping in the overdoped region and with a plateau in the optimally doped region. In the underdoped region a temperature dependent pairing potential favors local pair formation without superconducting coherence, with a peculiar temperature dependence of the pseudogap and a non-trivial relation between the pairing temperature and the gap itself. This last property is in good qualitative agreement with so far unexplained features of the experiments.     

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.     

Topology of the Fermi surface and the coexistence of orbital antiferromagnetism and superconductivity in cuprates

It has been shown that the strong coupling model taking into account a rise in the spin antiferromagnetic insulating state explains the doping dependence of the topology and shape of the Fermi contour of superconducting cuprates. Hole pockets with shadow bands in the second Brillouin zone form the Fermi contour with perfect ordinary and mirror nesting, which ensures the coexistence of orbital antiferromagnetism and superconductivity with a large pair momentum for T < T_C. The weak pseudogap region (T_* < T < T*) corresponds to the orbital antiferromagnetic ordering, which coexists with the incoherent state of superconducting pairs with large momenta in the strong pseudogap region (T_C < T < T_*).     

Temperature evolution of spin-polaron in-gap states in undoped antiferromagnetic cuprates

The temperature evolution of in-gap states created by the spin polaron effect and located within the gap with charge transfer between the valence and conduction bands is studied for the case of strong electron correlations using the t-t′-t″-J model of antiferromagnetic undoped cuprates. The effect of temperature is taken into account by temperature renormalization of the magnon concentration, which is calculated using the Heisenberg model with inclusion of weak interlayer exchange and weak in-plane spin anisotropy, and by introducing a Lorentzian with a temperature-dependent half-width in the form corresponding to the marginal Fermi liquid model. With increasing temperature, the spectral weight of the in-gap state, which is proportional to the magnon concentration, grows leading to an increased intensity of the corresponding peak of the spectral function in all points of the Brillouin zone. At points (π/2, π/2) and (π, 0), the main peak is approached by the satellite peak related to the in-gap band and, at points (0, 0) and (π, π), the peaks move away from each other.     

Nematic order of spin structures of clusters in the hubbard model

The possibility of interpreting the normal pseudogap state of cuprates as a result of the formation of spin and charge structures is investigated for solutions of the Hubbard model of a finite 2D cluster based on the mean field method. The iterative self-consistency procedure reduces the initial uncorrelated spin distributions to stable structures. The Fourier components of the charge and spin distributions in such structures have peaks for characteristic incommensurate quasi-momenta depending on the doping. It is shown that for any doping, the density of states of the system has a sharp minimum (pseudogap) at the Fermi level. This emergence of the gap just at the Fermi level is a property typical of not only the superconducting state, but also the normal state of spin glasses. The characteristics of the Fermi surface averaged over the implemented structures and the properties of quasiparticles in the nodal and antinodal regions of the quasi-momentum are considered.     

Superconductivity in a simple model of the pseudogap state

An analysis is made of characteristics of the superconducting state (s-and d-pairing) using a simple, exactly solvable model of the pseudogap state produced by fluctuations of the short-range order (such as antiferromagnetic) based on a Fermi surface model with “hot” sections. It is shown that the superconducting gap averaged over these fluctuations is nonzero at temperatures higher than the mean-field superconducting transition temperature T _c over the entire sample. At temperatures T > T _c superconductivity evidently exists in isolated sections (“ drops”). Studies are made of the spectral density and the density of states in which superconducting characteristics exist in the range T > T _c however, in this sense the temperature T = T _c itself is no different in any way. These anomalies show qualitative agreement with various experiments using underdoped high-temperature superconducting cuprates.     

Pseudogap-state superconductivity in a “hot-point” model: Gor’kov equations

The specific features of the superconducting state (with s and d pairing) are considered in terms of a pseudogap state caused by short-range order fluctuations of the “dielectric” type, namely, antiferromagnetic (spin density wave) or charge density wave fluctuations, in a model of the Fermi surface with “hot points.” A set of recurrent Gor’kov equations is derived with inclusion of all Feynman diagrams of a perturbation expansion in the interaction between an electron and short-range order fluctuations causing strong scattering near hot points. The influence of nonmagnetic impurities on superconductivity in such a pseudogap state is analyzed. The critical temperature for the superconducting transition is determined, and the effect of the effective pseudogap width, correlation length of short-range-order fluctuations, and impurity scattering frequency on the temperature dependence of the energy gap is investigated.     

Superconductivity in the pseudogap state induced by short-order fluctuations

Peculiarities of the superconducting state (s and d pairing) are considered in a simple model of the pseudogap state caused by short-range fluctuations (e.g., of the antiferromagnetic type), which is based on the model of a Fermi surface with “hot” regions. A system of Gor’kov recurrence equations is constructed taking into account all diagrams in perturbation theory in the electron interaction with short-range fluctuations. The superconducting transition temperature is determined, and the temperature variation of the energy gap depending on the pseudogap width and the correlation length of short-range fluctuations is analyzed. In a similar approximation, a microscopic derivation of the Ginzburg-Landau expansion is carried out, and the behavior of the main physical parameters of the superconductor near the transition temperature is studied depending on the pseudogap width as well as the correlation length of the fluctuations. The obtained results are in qualitative agreement with a number of experiments with underdoped HTSC cuprates.     

Pseudogap and symmetry of superconducting order parameter in cuprates

The phase diagram, nature of the normal state pseudogap, type of the Fermi surface, and behavior of the superconducting gap in various cuprates are discussed in terms of a correlated state with valence bonds. The variational correlated state, which is a band analogue of the Anderson (RVB) states, is constructed using local unitary transformations. Formation of valence bonds causes attraction between holes in the d-channel and corresponding superconductivity compatible with antiferromagnetic spin order. Our calculations indicate that there is a fairly wide range of doping with antiferromagnetic order in isolated CuO₂ planes. The shape of the Fermi surface and phase transition curve are sensitive to the value and sign of the hopping interaction t′ between diagonal neighboring sites. In underdoped samples, the dielectrization of various sections of the Fermi boundary, depending on the sign of t′, gives rise to a pseudogap detected in photoemission spectra for various quasimomentum directions. In particular, in bismuth-and yttrium-based ceramics (t′>0), the transition from the normal state of overdoped samples to the pseudogap state of underdoped samples corresponds to the onset of dielectrization on the Brillouin zone boundary near k=(0,π) and transition from “large” to “small” Fermi surfaces. The hypothesis about s-wave superconductivity of La-and Nd-based ceramics has been revised: a situation is predicted when, notwithstanding the d-wave symmetry of the superconducting order parameter, the excitation energy on the Fermi surface does not vanish at all points of the phase space owing to the dielectrization of the Fermi boundary at k _x=± k _y. The model with orthorhombic distortions and two peaks on the curve of T _c versus doping is discussed in connection with experimental data for the yttrium-based ceramic. Zh. éksp. Teor. Fiz. 115, 649–674 (February 1999)     

Superconductivity in the pseudogap state in the hot-spot model: Ginzburg-Landau expansion

Peculiarities of the superconducting state (s and d pairing) are considered in the model of the pseudogap state induced by short-range order fluctuations of the dielectric (AFM (SDW) or CDW) type, which is based on the model of the Fermi surface with “hot spots.” A microscopic derivation of the Ginzburg-Landau expansion is given with allowance for all Feynman diagrams in perturbation theory in the electron interaction with short-range order fluctuations responsible for strong scattering in the vicinity of hot spots. The superconducting transition temperature is determined as a function of the effective pseudogap width and the correlation length of short-range order fluctuations. Similar dependences are derived for the main parameters of a superconductor in the vicinity of the superconducting transition temperature. It is shown, in particular, that the specific heat jump at the transition point is considerably suppressed upon a transition to the pseudogap region on the phase diagram.     

The “pair” Fermi contour and high-temperature superconductivity

Superconducting pairing of holes with a large (on the order of doubled Fermi) total pair momentum and small relative motion momenta is considered taking into account the quasi-two-dimensional electronic structure of high-T _c cuprates with clearly defined nesting of the Fermi contour situated in an extended neighborhood of the saddle point of the electronic dispersion law (the momentum space region with a hyperbolic metric) and the arising of a spatially inhomogeneous (stripe) structure as a result of the redistribution of current carriers (holes) that restores regions with antiferromagnetic ordering. The superconducting energy gap and condensation energy were determined, and their dependences on the doping level were qualitatively studied. The energy gap was shown to exist in some hole concentration region limited on both sides. The superconducting state with a positive condensation energy appears in a narrower range of doping within this region. The reason for the arising of the superconducting state at a repulsive screened Coulomb interaction between holes is largely the redistribution of hole pairs in the momentum space related to the special features of the hyperbolic metric, which is responsible for the formation of the “pair” Fermi contour, and the renormalization of the kinetic energy of holes when the chemical potential changes because of the condensation of pairs. Hole pairs of the type under consideration exist not only in the condensate but also in the form of quasi-stationary states with very weak decay at temperatures substantially exceeding the superconducting transition temperature. The pseudogap region of the phase diagram of high-T _c cuprates is related to such states. The pairing mechanism under consideration allows not only the principal characteristics of the phase diagram but also key experimental data on high-T _c cuprate materials to be qualitatively explained.