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Journal of the Physical Society of Japan

Quasi-Particle Density of States of Two-Dimensional Hubbard Model

Takashi Hotta

Published Aug 15, 1995• 6 citations
Publisher

Abstract

The density of states (DOS) of the two-dimensional Hubbard model is calculated in second-order perturbation with respect to the on-site Coulomb interaction U . The direct analytic continuation formula is presented to calculate the self-energy on the real-frequency axis. The momentum as well as the energy integral in the self-energy is seriously carried out with use of the Fast-Fourier-Transformation algorithm. Near the half-filling, the imaginary part of the self-energy becomes proportional to the energy in the vicinity of the Fermi level in our weak-coupling calculation. In the interacting case, the van Hove singularity (VHS) in DOS is smeared by the self-energy effect, but there still exists a sharp peak structure due to VHS.

DOI
10.1143/jpsj.64.2923

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The density of states (DOS) of the two-dimensional Hubbard model is calculated in second-order perturbation with respect to the on-site Coulomb interaction U . The direct analytic continuation formula is presented to calculate the self-energy on the real-frequency axis. The momentum as well as the energy integral in the self-energy is seriously carried out with use of the Fast-Fourier-Transformation algorithm. Near the half-filling, the imaginary part of the self-energy becomes proportional to the energy in the vicinity of the Fermi level in our weak-coupling calculation. In the interacting case, the van Hove singularity (VHS) in DOS is smeared by the self-energy effect, but there still exists a sharp peak structure due to VHS.
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.
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.
Employing the equation of motion method for the Green's function, we have obtained the self-energy for the Hubbard model in the weak correlation limit up to the 2nd order in U, the on-site interaction strength. The quasi-particle spectral density of states is determined numerically, using the local approximation which is known to be exact for the infinite dimensional Hubbard model. Further, assuming a linear dispersion for the bare electronic spectra for the 1D Hubbard model, we have evaluated analytically the imaginary part of the self-energy, Im Sigma, near the Fermi energy (E(F)) and the renormalization coefficient at E(F), Z(F). It is found that the 1D Hubbard model system exhibits a non-Fermi liquid behavior within the 2nd order perturbational treatment.
Using second-order perturbation theory in U for the self-energy, we solve the self-consistent equations for the local Green function of the infinite-dimensional Hubbard model. We consider the cases of Gaussian and semicircular free densities of states (DOS), and calculate the spectral densities rho ( omega ) for various U. In the semicircular case we investigate the existence of a Mott transition at half-filling. Even for large U we obtain a metallic solution. Treating the free DOS as a variable parameter, the method also gives an approximate solution of the finite-dimensional Hubbard model. We consider the case of a (regularized) logarithmic DOS appropriate for the two-dimensional case.