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arXiv:1412.5031 · Physical Review B

Quasiparticle properties of the superconducting state of the two-dimensional Hubbard model

Emanuel Gull, Andrew J. Millis

Published Feb 20, 2015• 45 citations
arXivHTMLPDF

Abstract

Cluster dynamical mean field methods are used to calculate the normal and anomalous components of the electron self-energy of the two-dimensional Hubbard model. Issues associated with the analytical continuation of the normal and anomalous parts of the gap function are discussed. Methods of minimizing the uncertainties associated with the pseudogap-related pole in the self-energy are discussed. From these the evolution of the superconducting gap and the momentum-dependent electron spectral function across the phase diagram are determined. In the pseudogap regime, decreasing the temperature into the superconducting state leads to a decrease in the energy gap and the formation of a ``peak-dip-hump'' structure in the electronic density of states. The peak feature disperses very weakly. The calculated spectral functions are in good qualitative agreement with published data. The mathematical origin of the behavior is found to be the effect of the superconductivity on the pole structure giving rise to the normal state pseudogap. In particular the ``hump'' feature is found to arise from a zero crossing of the real part of the electron self-energy rather than from an onset of scattering. The effect of superconductivity on the zone diagonal spectra is presented.

DOI
10.1103/physrevb.91.085116

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Cluster dynamical mean field methods are used to calculate the normal and anomalous components of the electron self-energy of the two-dimensional Hubbard model. Issues associated with the analytical continuation of the normal and anomalous parts of the gap function are discussed. Methods of minimizing the uncertainties associated with the pseudogap-related pole in the self-energy are discussed. From these the evolution of the superconducting gap and the momentum-dependent electron spectral function across the phase diagram are determined. In the pseudogap regime, decreasing the temperature into the superconducting state leads to a decrease in the energy gap and the formation of a peak-dip-hump'' structure in the electronic density of states. The peak feature disperses very weakly. The calculated spectral functions are in good qualitative agreement with published data. The mathematical origin of the behavior is found to be the effect of the superconductivity on the pole structure giving rise to the normal state pseudogap. In particular the hump'' feature is found to arise from a zero crossing of the real part of the electron self-energy rather than from an onset of scattering. The effect of superconductivity on the zone diagonal spectra is presented.
We have studied the pseudogap formation in the single-particle spectra of the half-filling two-dimensional Hubbard model. Using a Green's function with the one-loop self-energy correction of the spin and charge fluctuations, we have numerically calculated the self-energy, the spectral function, and the density of states in the weak-coupling regime at finite temperature. Pseudogap formations have been observed in both the density of states and the spectral function at the Fermi level. The pseudogap in the spectral function is explained by the non-Fermi-liquid-like nature of the self-energy. The anomalous behavior in the self-energy is caused by both the strong antiferromagnetic spin fluctuation and the nesting condition on the non-interacting Fermi surface. In the present approximation, we find a logarithmic singularity in the integrand of the imaginary part of the self-energy. Concerning the energy dependence of the spectral function and the self-energy, two theorems are proved. They give a necessary condition in the self-energy to produce the pseudogap at the Fermi level. The pseudogap in the spectral function is highly momentum dependent on the Fermi surface. It opens initially in the (±π,0)(\pm π,0)(±π,0), (0,±π)(0,\pm π)(0,±π) regions as the normal state pseudogap observed in the high-TcT_cTc​ superconductors and if the interaction is increased, it spreads to other Fermi surface sectors. The anisotropy of the pseudogap is produced by the low-energy enhancement of the spin excitation around Q=(π,π){\bf Q}=(π,π)Q=(π,π) and the flatness of the band dispersion around the saddle point.
The effect of doping in the two-dimensional Hubbard model is studied within finite-temperature exact diagonalization combined with cluster dynamical mean-field theory. By employing a mixed basis involving cluster sites and bath molecular orbitals for the projection of the lattice Green's function onto $2\ifmmode\times\else\texttimes\fi{}2$ clusters, a considerably more accurate description of the low-frequency properties of the self-energy is achieved than in a pure site picture. To evaluate the phase diagram, the transition from Fermi-liquid to non-Fermi-liquid behavior for decreasing hole doping is studied as a function of Coulomb energy, next-nearest-neighbor hopping, and temperature. The self-energy component ${\ensuremath{\Sigma}}_{X}$ associated with $X=(\ensuremath{\pi},0)$ is shown to develop a collective mode above EF{E}_{F}EF​, whose energy and strength exhibits a distinct dispersion with doping. This low-energy excitation gives rise to non-Fermi-liquid behavior as the hole doping decreases below a critical value ${\ensuremath{\delta}}_{c}$, and to an increasing particle-hole asymmetry, in agreement with recent photoemission data. This behavior is consistent with the removal of spectral weight from electron states above EF{E}_{F}EF​ and the opening of a pseudogap, which increases with decreasing doping. The phase diagram reveals that ${\ensuremath{\delta}}_{c}\ensuremath{\approx}0.15\dots{}0.20$ for various system parameters. For electron doping, the collective mode of ${\ensuremath{\Sigma}}_{X}(\ensuremath{\omega})$ and the concomitant pseudogap are located below the Fermi energy, which is consistent with the removal of spectral weight from the hole states just below EF{E}_{F}EF​. The critical doping, which marks the onset of non-Fermi-liquid behavior, is systematically smaller than for hole doping.
The frequency dependence of the superconducting gap function represents the dynamics of the electrons forming the Cooper pairs. Bearing the high-temperature superconducting cuprates in mind, we calculate the superconducting gap function in the two-dimensional Hubbard model by means of a cluster extension of the dynamical mean-field theory. We scrutinize the frequency dependence and its change with temperature, doping concentration and interaction strength. The calculated superconducting gap function shows various different behaviors from the anomalous self-energy, owing to a strong frequency dependence of the normal self-energy. The calculated results also suggest that the superconductivity is stronger when the interaction strength is as large as or slightly smaller than the bare band width and is suppressed for larger interactions.
The effect of doping in the two-dimensional Hubbard model is studied within finite temperature exact diagonalization combined with cluster dynamical mean field theory. By employing a mixed basis involving cluster sites and bath molecular orbitals for the projection of the lattice Green's function onto 2x2 clusters, a considerably more accurate description of the low frequency properties of the self-energy is achieved than in a pure site picture. The transition from Fermi-liquid to non-Fermi-liquid behavior for decreasing hole doping is studied as a function of Coulomb energy, next-nearest neighbor hopping, and temperature. In particular, the self-energy component Sigma_X associated with X=(pi,0) is shown to exhibit an onset of non-Fermi-liquid behavior as the hole doping decreases below a critical value delta_c. The imaginary part of Sigma_X(omega) then develops a collective mode above E_F, which exhibits a distinct dispersion with doping. Accordingly, the real part of Sigma_X(omega) has a positive slope above E_F, giving rise to an increasing particle-hole asymmetry as the system approaches the Mott transition. This behavior is consistent with the removal of spectral weight from electron states close to E_F and the opening of a pseudogap which increases with decreasing doping. The phase diagram reveals that delta_c = 0.15 ... 0.20 for various system parameters. For electron doping, the collective mode of Sigma_X(omega) and the concomitant pseudogap are located below the Fermi energy which is consistent the removal of spectral weight from hole states just below E_F. The critical doping which marks the onset of non-Fermi-liquid behavior, is systematically smaller than for hole doping.
We have studied the pseudogap formation in the single-particle spectra of the half-filling two-dimensional Hubbard model. Using a Green's function with the one-loop self-energy correction of the spin and charge fluctuations, we have numerically calculated the self-energy, the spectral function, and the density of states in the weak-coupling regime at finite temperatures. Pseudogap formations have been observed in both the density of states and the spectral function at the Fermi level. The pseudogap in the spectral function is explained by the non-Fermi-liquid-like nature of the self-energy. The anomalous behavior in the self-energy is caused by both the strong antiferromagnetic spin fluctuation and the nesting condition on the non-interacting Fermi surface. In the present approximation, we find a logarithmic singularity in the integrand of the self-energy imaginary part. The pseudogap in the spectral function is highly momentum dependent on the Fermi surface. This anisotropy of the pseudogap is produced by the flatness of the band dispersion around the saddle point rather than the nesting condition on the Fermi level.
Recently developed numerical methods have enabled the explicit construction of the superconducting state of the Hubbard model of strongly correlated electrons in parameter regimes where the model also exhibits a pseudogap and a Mott insulating phase. d(x(2)-y(2)) symmetry superconductivity is found to occur in proximity to the Mott insulator, but separated from it by a pseudogapped nonsuperconducting phase. The superconducting transition temperature and order parameter amplitude are found to be maximal at the onset of the normal-state pseudogap. The emergence of superconductivity from the normal state pseudogap leads to a decrease in the excitation gap. All of these features are consistent with the observed behavior of the copper-oxide superconductors.