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arXiv:0708.4344 · Journal of the Physical Society of Japan

Spectral Properties and Stability in the Two-Dimensional Lattice-Hubbard Model

Carlos Alberto Lamas

Published Jan 13, 2009• 5 citations
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Abstract

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.

DOI
10.1143/jpsj.78.014602

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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.
The self-energy of the hole-doped two-dimensional (2D) Hubbard model is calculated to second order in the interaction U and the ensuing renormalization of the spectral properties and of the Fermi surface is discussed. In uncorrelated systems the square-shaped Fermi surface separates the Fermi surface closed around the \ensuremath{\Gamma} point (with more holes than particles) from the Fermi surface closed around the Z point (with more particles than holes). In a correlated system a topological change from a Fermi surface centered around the \ensuremath{\Gamma} point to a Fermi surface closed around a Z point is induced, either by increasing the interaction or by diminishing the concentration of holes. The shape of the renormalized spectral function Ap{\mathit{A}}_{\mathbf{p}}Ap​(\ensuremath{\omega}) is momentum dependent. Using Ap{\mathit{A}}_{\mathbf{p}}Ap​(\ensuremath{\omega}) we evaluate dispersion of single-particle excitations. At low energies the band of quasiparticles with reduced bandwidth is clearly seen. At high energies and far away from the Fermi surface the spectra acquire an additional peak that describes excitations in the Hubbard band. The dispersion in Hubbard bands is weaker along the \ensuremath{\Gamma}-Z, than \ensuremath{\Gamma}-X or X-Z direction. The density of states of a correlated system, as given by the perturbation theory, remains logarithmically singular but the singular weight is reduced with respect to the uncorrelated one. In addition, the correlations transfer the spectral weight out of the low-energy region, where only a narrow Kondo-like structure seems to remain. The spectral properties of the 2D Hubbard model obtained by the truncated perturbation expansion resemble in many ways the recent experimental data on metallic cuprates.
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 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 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 zero-temperature spectral properties and Fermi surface (FS) anomalies of hole-doped 2D Hubbard model with anisotropic nearest-neighbor hopping are evaluated using the perturbation theory. The nested sections of the FS, which are always present in the anisotropic model, are found to expand with the strength of Coulomb correlation U. The renormalized FS and the low-energy part of the density of states obtained for small anisotropy and large U are similar to those obtained for large anisotropy and small U. The effect of correlation at low doping can best be described as an enhancement of the hopping anisotropy. The anomalous spectral features are mainly due to the van Hove singularities, which give rise to the momentum dependence of the self-energy.