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Physical review. B, Condensed matter

Second-order self-energy of the Hubbard Hamiltonian: Absence of quasiparticle excitations near half-filling

J. Galán, José Antonio Vergés, A. Martín‐Rodero

Published Nov 1, 1993• 15 citations
Publisher

Abstract

The electron self-energy Sigma(k,\ensuremath{\omega}) corresponding to the one-band Hubbard Hamiltonian on clusters of the square lattice has been obtained as a function of the band filling up to second order in the interaction parameter U. The k dependence of the self-energy is completely taken into account. As a consequence, the imaginary part of the self-energy shows a linear behavior for fillings close to one electron per site whereas for large doping rates the quadratic \ensuremath{\omega} dependence characterizing Fermi liquids is recovered. The origin of this behavior has been investigated analytically: linear terms associated with nesting are shown to exist in any finite-dimensional lattice although its numerical relevance decreases very rapidly for space dimensionality larger than two. Implications of these results on the renormalization factor Z have been analyzed. From a practical point of view, we conclude that a standard second-order perturbative treatment is quantitatively precise for U values of the on-site Coulomb interaction smaller than the bandwidth of the noninteracting spectrum.

DOI
10.1103/physrevb.48.13654

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The electron self-energy Sigma(k,\ensuremath{\omega}) corresponding to the one-band Hubbard Hamiltonian on clusters of the square lattice has been obtained as a function of the band filling up to second order in the interaction parameter U. The k dependence of the self-energy is completely taken into account. As a consequence, the imaginary part of the self-energy shows a linear behavior for fillings close to one electron per site whereas for large doping rates the quadratic \ensuremath{\omega} dependence characterizing Fermi liquids is recovered. The origin of this behavior has been investigated analytically: linear terms associated with nesting are shown to exist in any finite-dimensional lattice although its numerical relevance decreases very rapidly for space dimensionality larger than two. Implications of these results on the renormalization factor Z have been analyzed. From a practical point of view, we conclude that a standard second-order perturbative treatment is quantitatively precise for U values of the on-site Coulomb interaction smaller than the bandwidth of the noninteracting spectrum.
The authors have calculated the electronic self-energy of the two-dimensional Hubbard model as a function of frequency and momentum for various band fillings. They present this up to second order in the interaction parameter and also up to infinite order for ladder diagrams in the two-particle scattering channel. The authors have carried out direct k-space integrations using a triangle method. For a half-filled perfectly nested band, the imaginary part, lm Sigma (k f , omega ), has a linear- omega dependence for nested Fermi surfaces which is consistent with the marginal Fermi liquid phenomenology for high-T c superconductors. At, and near, half-filling there is a strong low-energy peak in lm Sigma (2) (k, omega ) when k is off the Fermi surface. The physical origin of this peak is discussed. The peak is enhanced in the ladder approximation. The corresponding structure in Re Sigma (2) (k, omega ) leads to multiple solutions of the Dyson equation for a wide range of values of the parameters. This leads to an appealing explanation of observed structure in some experimental angle-resolved photoemission spectra of high-T c materials. The authors also find anti-bound states split off from the band in the two-particle scattering ladders consistent with the suggestion of Anderson.
We investigate the Hubbard model on a two-dimensional square lattice by the perturbation expansion to the fourth order in the on-site Coulomb repulsion U. Numerically calculating all diagrams up to the fourth order in self-energy, we examine the convergence of perturbation series in the lattice system. We indicate that the coefficient of each order term rapidly decreases as in the impurity Anderson model for T > 0.1t in the half-filled case, but it holds in the doped case even at lower temperatures. Thus, we can expect that the convergence of perturbation expansion in U is very good in a wide parameter region also in the lattice system, except for T < 0.1t in the half-filled case. We next calculate the density of states in the fourth-order perturbation. In the half-filled case, the shape in a moderate correlation regime is quite different from the three peak structure in the second-order perturbation. Remarkable upper and lower Hubbard bands locate at w = +(-)U/2, and a pseudogap appears at the Fermi level w=0. This is considered as the precursor of the Mott-Hubbard antiferromagnetic structure. In the doped case, quasiparticles with very heavy mass are formed at the Fermi level. Thus, we conclude that the fourth-order perturbation theory overall well explain the asymptotic behaviors in a strong correlation regime.
The wave-function renormalizaton constant Z has been calculated for the one-band Hubbard model in the square lattice. Near half-filling the Hamiltonian has been solved on finite clusters (up to 16\ifmmode\times\else\texttimes\fi{}16) by means of the unrestricted Hartree-Fock approximation, whereas at high dilutions (two electrons) exact calculations have been carried out. The region of the parameter space where the system shows nonconventional behavior (Z=0) is close to half-filling. For a given value of the Coulomb repulsion, Z vanishes at low dopings, and become finite as doping is increased. For very large U the constant Z remains finite for all dopings, excluding half-filling. These results are cast into a plausible phase diagram.
A new method of calculating the properties of correlated electrons propagting on D -dimensional lattices with N D sites is used to study the analytic properties of the Hubbard model in one and two dimensions. The single-particle self-energy is evaluated in the weak-coupling limit around the Fermi energy, ω F , and momentum, p F , at T = 0. For D = 1, the imaginary part of the self-energy, around p F and ω F , behaves in the limit as Im Σ p F (ω F + ω) ~ |ω| for |ω| ~ 1/ N . For D = 2 at half-filling and along the (1,0) direction in the Brillouin zone, the dominate contribution to the self-energy around ω F is estimated as Im Σ p F (ω F + ω) ~ |ω| ln|ω|. For one and two dimensional lattices, the excitation spectra of the U = 0 and U → 0 models become qualitatively different as N → ∞ and can not be simply connected by the perturbation theory.
The two-dimensional Hubbard model on the square lattice is studied in the presence of lattice distortions in the adiabatic approximation. The self energy is computed within perturbation theory up to second order, which provides a way for studying the quasiparticle dispersion. We compute numerically the second order contribution to the self-energy using a standard Fast Fourier Transform Algorithm for finite system sizes. The stability of the lattice distortions is investigated and a schematic phase diagram is drawn. The Fermi surface is analyzed for densities near to half filling, the presence of lattice distortion change some spectral properties of the model and gives an anisotropic interacting FS. The spectral function is calculated along several lines in momentum space and the renormalized quasiparticle dispersion is obtained. The behavior of the density of states is shown for different values of the intrasite repulsion U in the different phases.
Single-particle excitation spectra of the two-dimensional Hubbard model on the square lattice near half filling and at zero temperature are investigated on the basis of the self-consistent projection operator method. The method guarantees a high accuracy of the spectra with high energy and high momentum resolutions. It takes into account long-range intersite correlations as well as the strong on-site correlations. Effects of nonlocal excitations are clarified by comparing the results with those of the single-site approximation. The calculated spectra verify the quantum Monte-Carlo results for finite temperatures. The spectra at the Fermi level yield a hole-like Fermi surface in the underdoped region and an electron-like Fermi surface in the overdoped region. From a numerical analysis of the momentum dependent effective mass and self-energy, it is concluded that a marginal Fermi-liquid like state persists even at finite doping concentrations in the strongly correlated region because a van Hove singularity is pinned to the Fermi surface. It is also found that a kink structure appears in the quasiparticle energy band in the same region. The kink is shown to be caused by a mixing between the quasiparticle band and an excitation band with strong short-range antiferromagnetic correlations. These results suggest an explanation for some of the unusual properties of the normal state in high-TcT_{\rm c}Tc​ cuprates.