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Modified two-band two-dimensional Hubbard model for the description of the high critical temperature superconducting phase transition in cuprates

Adam, Gheorghe, Adam, S.

Published Jan 1, 2010• 0 citations
OpenAlex

Abstract

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.

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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 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.
Extensive numerical studies have demonstrated that the two-dimensional single-band Hubbard model contains much of the key physics in cuprate high-temperature superconductors. However, there is no definitive proof that the Hubbard model truly possesses a superconducting ground state or, if it does, of how it depends on model parameters. To answer these longstanding questions, we study an extension of the Hubbard model including an infinite-range ddd-wave pair field term, which precipitates a superconducting state in the ddd-wave channel. Using exact diagonalization on 16-site square clusters, we study the evolution of the ground state as a function of the strength of the pairing term. This is achieved by monitoring the fidelity metric of the ground state, as well as determining the ratio between the two largest eigenvalues of the ddd-wave pair/spin/charge-density matrices. The calculations show a ddd-wave superconducting ground state in doped clusters bracketed by a strong antiferromagnetic state at half filling controlled by the Coulomb repulsion UUU and a weak short-range checkerboard charge ordered state at larger hole doping controlled by the next-nearest-neighbor hopping ${t}^{\ensuremath{'}}$. We also demonstrate that negative ${t}^{\ensuremath{'}}$ plays an important role in facilitating ddd-wave superconductivity.
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.
Quasiparticle bands of the two-dimensional Hubbard model are calculated using the Roth two-pole approximation to the one-particle Green's function. Excellent agreement is obtained with recent Monte Carlo calculations, including an anomalous volume of the Fermi surface near half-filling, which can possibly be explained in terms of a breakdown of Fermi liquid theory. The calculated bands are very flat around the (\ensuremath{\pi},0) points of the Brillouin zone in agreement with photoemission measurements of cuprate superconductors. With doping there is a shift in spectral weight from the upper band to the lower band. The Roth method is extended to deal with superconductivity within a four-pole approximation allowing electron-hole mixing. It is shown that triplet p-wave pairing never occurs. A self-consistent solution with singlet ${\mathit{d}}_{{\mathit{x}}^{2}\mathrm{\ensuremath{-}}{\mathit{y}}^{2}}$-wave pairing is found and optimal doping occurs when the van Hove singularity, corresponding to the flat band part, lies at the Fermi level. Nearest-neighbor antiferromagnetic correlations play an important role in flattening the bands near the Fermi level and in favoring superconductivity. However, the mechanism for superconductivity is a local one, in contrast to spin-fluctuation exchange models. For reasonable values of the hopping parameter the transition temperature Tc{\mathit{T}}_{\mathit{c}}Tc​ is in the range 10--100 K. The optimum doping ${\mathrm{\ensuremath{\delta}}}_{\mathit{c}}$ lies between 0.14 and 0.25, depending on the ratio U/t. The gap equation has a BCS-like form and 2${\mathrm{\ensuremath{\Delta}}}_{\mathrm{max}}$/kTc{\mathit{kT}}_{\mathit{c}}kTc​\ensuremath{\simeq}4.
A systematic diagrammatic expansion for Gutzwiller-wave functions (DE-GWF) is formulated and used for the description of superconducting (SC) ground state in the two-dimensional Hubbard model with electron-transfer amplitudes ttt (and ${t}^{\ensuremath{'}}$) between nearest (and next-nearest) neighbors. The method is numerically very efficient and allows for a detailed analysis of the phase diagram as a function of all relevant parameters (UUU, $\ensuremath{\delta}$, ${t}^{\ensuremath{'}}$) and a determination of the kinetic-energy driven pairing region. SC states appear only for substantial interactions, $U/t\ensuremath{\gtrsim}3$, and for not too large hole doping, $\ensuremath{\delta}\ensuremath{\lesssim}0.32$ for ${t}^{\ensuremath{'}}=0.25t$; this upper critical doping value agrees well with experiment for the cuprate high-temperature superconductors. We also obtain other important features of the SC state: (i) the SC gap at the Fermi surface resembles ${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$-wave only around the optimal doping and the corrections to this state are shown to arise from the longer range of the pairing; (ii) the nodal Fermi velocity is almost constant as a function of doping and agrees quantitatively with the experimental results; (iii) the SC transition is driven by the kinetic-energy lowering for low doping and strong interactions.