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arXiv:0903.1563

Finiteness of the Hopping Induced Energy Corrections in Cuprates

Gh. Adam, S. Adam

Published Mar 9, 2009• 0 citations
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Abstract

The paper continues the rigorous investigations of the mean field Green function solution of the effective two-dimensional two-band Hubbard model [N. M. Plakida et al., Phys. Rev. B, Vol.51, 16599 (1995)] of the superconducting phase transitions in cuprates, started in [Gh. Adam, S. Adam, J. Phys. A: Math. Theor., Vol.40, 11205 (2007)]. Discussion of the $(δ, T)$ phase diagram of the model points to the divergence of the energy spectrum in the limit of vanishing doping $δ$. Finite energy spectra at all possible doping rates $δ$ are obtained provided the hopping part of the effective Hamiltonian is renormalized with an effective factor pointing to the site-pairs availability for fermion hopping processes.

DOI
10.48550/arxiv.0903.1563

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The paper continues the rigorous investigations of the mean field Green function solution of the effective two-dimensional two-band Hubbard model [N. M. Plakida et al., Phys. Rev. B, Vol.51, 16599 (1995)] of the superconducting phase transitions in cuprates, started in [Gh. Adam, S. Adam, J. Phys. A: Math. Theor., Vol.40, 11205 (2007)]. Discussion of the (δ,T)(δ, T)(δ,T) phase diagram of the model points to the divergence of the energy spectrum in the limit of vanishing doping δδδ. Finite energy spectra at all possible doping rates δδδ are obtained provided the hopping part of the effective Hamiltonian is renormalized with an effective factor pointing to the site-pairs availability for fermion hopping processes.
A progress report on the development of numerical and rigorous solutions of the effective two-band two-dimensional Hubbard model of the high-temperature superconductivity in cuprates [N.M. Plakida et al., PRB 51, 16599 (1995)], within the equation of motion technique of the thermodynamic Green function approach, is given. Four important consequences of the rigorous mean-field solution are worth mentioning: (1) Occurrence, both in the normal and superconducting states, of the spin-charge separation, conjectured by P.W. Anderson on intuitive grounds. (2) Origin of the static d-wave pairing in the hopping singlet conduction. (3) Complete suppression of the s-type superconducting pairing by the crystal symmetry in square two- dimensional lattices and occurrence of a residual s-type term in rectangular lattices, in agreement with the experiment. (4) The energy band hybridization in the superconducting state points to an overall displacement of the energy spectrum toward lower energies, as pointed by very precise optical measurements.
The mean field Green function solution of the two-band singlet-hole Hubbard model for high-T c superconductivity in cuprates (N.M. Plakida et al., Phys. Rev. B51, 16599 (1995), JETP 97, 331 (2003)) involves expressions of higher order correlation functions describing respectively the singlet hopping and the superconducting pairing. Rigorous derivation of their values is reported based on the finding that specific invariant classes of polynomial Green functions in terms of the Wannier overlap coefficients v ij exist.
The Green function (GF) equation of motion technique for solving the effective two-band Hubbard model of high-T_c superconductivity in cuprates [N.M. Plakida et al., Phys. Rev. B, v. 51, 16599 (1995); JETP, v. 97, 331 (2003)] rests on the Hubbard operator (HO) algebra. We show that, if we take into account the invariance to translations and spin reversal, the HO algebra results in invariance properties of several specific correlation functions. The use of these properties allows rigorous derivation and simplification of the expressions of the frequency matrix (FM) and of the generalized mean field approximation (GMFA) Green functions (GFs) of the model. For the normal singlet hopping and anomalous exchange pairing correlation functions which enter the FM and GMFA-GFs, an approximation procedure based on the identification and elimination of exponentially small quantities is described. It secures the reduction of the correlation order to GMFA-GF expressions.
We complement previous functional renormalization group (fRG) studies of the two-dimensional Hubbard model by mean-field calculations. The focus falls on Van Hove filling and the hopping amplitude ${t}^{\ensuremath{'}}/t=0.341$. The fRG data suggest a quantum critical point (QCP) in this region and in its vicinity a singular fermionic self-energy $\mathrm{Im}\phantom{\rule{0.16em}{0ex}}\mathrm{\ensuremath{\Sigma}}(\ensuremath{\omega})/\ensuremath{\omega}\ensuremath{\sim}\ensuremath{-}{\left|\ensuremath{\omega}\right|}^{\ensuremath{-}\ensuremath{\gamma}}$ with $\ensuremath{\gamma}\ensuremath{\approx}0.26$ [K-U. Giering and M. Salmhofer, Self-energy flows in the two-dimensional repulsive Hubbard model, Phys. Rev. B 86, 245122 (2012)]. Here we start a more detailed investigation of this QCP using a bosonic formulation for the effective action, where the bosons couple to the order parameter fields. To this end, we use the channel decomposition of the fermionic effective action developed in C. Husemann and M. Salmhofer, Efficient Parametrization of the Vertex Function, Omega-Scheme, and the (t, t')-Hubbard Model at Van Hove Filling, Phys. Rev. B 79, 195125 (2009), which allows us to perform Hubbard-Stratonovich transformations for all relevant order parameter fields at any given energy scale $\mathrm{\ensuremath{\Omega}}$. We stop the flow at a scale $\mathrm{\ensuremath{\Omega}}$ where the correlations of the order parameter field are already pronounced, but the flow is still regular, and derive the effective boson theory. It contains ddd-wave superconducting, magnetic, and density-density interactions. We analyze the resulting phase diagram in the mean-field approximation. We show that the singular fermionic self-energy suppresses gap formation both in the superconducting and magnetic channel already at the mean-field level, thus rounding a first-order transition (without self-energy) to a quantum phase transition (with self-energy). We give a simple effective model that shows the generality of this effect. In the two-dimensional Hubbard model, the effective density-density interaction is peaked at a nonzero frequency, so that solving the mean-field equations already involves a functional equation instead of simply a matrix equation (on a technical level, similar to incommensurate phases). Within a certain approximation, we show that such an interaction leads to a short quasiparticle lifetime.
We calculate the properties of the two-band Hubbard model using the dynamical cluster approximation. The phase diagram resembles the generic phase diagram of the cuprates, showing a strong asymmetry with respect to electron- and hole-doped regimes, in agreement with experiment. Asymmetric features are also seen in one-particle spectral functions and in the charge, spin, and ddd-wave pairing-susceptibility functions. We address the possible reduction of the two-band model to a low-energy single-band one, as it was suggested by Zhang and Rice. Comparing the two-band Hubbard model properties with the single-band Hubbard model ones, we have found similar low-energy physics provided that the next-nearest-neighbor hopping term ${t}^{\ensuremath{'}}$ has a significant value $({t}^{\ensuremath{'}}∕t\ensuremath{\approx}0.3)$. The parameter ${t}^{\ensuremath{'}}$ is the main culprit for the electron-hole asymmetry. However, a significant value of ${t}^{\ensuremath{'}}$ cannot be provided in a strict Zhang and Rice [Phys. Rev. B 37, R3759 (1988); 41, 7243 (1990)] picture where the extra holes added into the system bind to the existing Cu holes forming local singlets. We note that by considering approximate singlet states, such as plaquette states, reasonable values of ${t}^{\ensuremath{'}}$, which capture qualitatively the physics of the two-band model, can be obtained. We conclude that a single-band $t\text{\ensuremath{-}}{t}^{\ensuremath{'}}\text{\ensuremath{-}}U$ Hubbard model captures the basic physics of the cuprates concerning superconductivity, antiferromagnetism, pseudogap, and electron-hole asymmetry, but is not suitable for a quantitative analysis or to describe physical properties involving energy scales larger than about 0.5 eV.
We study the three-band Hubbard model for the copper oxide plane of the high-temperature superconducting cuprates using determinant quantum Monte Carlo and the dynamical cluster approximation (DCA) and provide a comprehensive view of the pairing correlations in this model using these methods. Specifically, we compute the pair-field susceptibility and study its dependence on temperature, doping, interaction strength, and charge-transfer energy. Using the DCA, we also solve the Bethe-Salpeter equation for the two-particle Green's function in the particle-particle channel to determine the transition temperature to the superconducting phase on smaller clusters. Our calculations reproduce many aspects of the cuprate phase diagram and indicate that there is an ``optimal'' value of the charge-transfer energy for the model where Tc{T}_{c}Tc​ is largest. These results have implications for our understanding of superconductivity in both the cuprates and other doped charge-transfer insulators.