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Philosophical Magazine B

Some remarks on second-order perturbation theory for the Hubbard model

V. Zlati, B. Horvati, Gudrun Schliecker, K. D. Schotte

Published Jun 1, 1992• 9 citations
Publisher

Abstract

The single-particle second-order self-energy is calculated numerically for the one-dimensional Hubbard model in the weak-coupling limit. On finite lattices the time- and momentum-dependent self-energy can be computed exactly. As an efficient and simple computer code we use the fast Fourier transform technique. For one and two dimensions and for half-filling, analytical results in the limit ω → 0 are given.

DOI
10.1080/13642819208215091

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The single-particle second-order self-energy is calculated numerically for the one-dimensional Hubbard model in the weak-coupling limit. On finite lattices the time- and momentum-dependent self-energy can be computed exactly. As an efficient and simple computer code we use the fast Fourier transform technique. For one and two dimensions and for half-filling, analytical results in the limit ω → 0 are given.
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 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.
We introduce the concept of self-energy dispersion as an error bound on local theories and apply it to the two-dimensional Hubbard model on the square lattice at half filling. Since the self-energy has no single-particle analog and is not directly measurable in experiments, its general behavior as a function of momentum is an open question. In this paper, we benchmark the momentum dependence with the two-particle self-consistent approach together with analytical and numerical considerations and we show that through the addition of a local single-particle potential to the Hubbard model the self-energy can be flattened, such that it is essentially described by only a frequency-dependent term. We use this observation to motivate that local theories, such as the dynamical mean-field theory, should be expected to give very accurate results in the presence of a potential of this kind. This is especially interesting in the context of topology, where such a term is present in many popular models, e.g., the Haldane and Kane-Mele models. Finally, we propose a simple energy argument as an estimator for the crossover from nonlocal to local self-energies, which can be computed even by local theories such as dynamical mean-field theory.
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.
We develop an analytical expression for the self-energy of the infinite-dimensional Hubbard model that is correct in a number of different limits. The approach represents a generalization of the iterative perturbation theory to arbitrary fillings. In the weak-coupling regime perturbation theory to second order in the interaction U is recovered. The theory is exact in the atomic limit. The high-energy behavior of the self-energy up to order 1/E 2 and thereby the first four moments of the spectral density are reproduced correctly. Referring to a standard strong-coupling moment method, we analyze the limit U ↦ → ∞. Different modifications of the approach are discussed and tested by comparing with the results of an exact diagonalization study. I.
We develop an analytical expression for the self-energy of the infinite-dimensional Hubbard model that is correct in a number of different limits. The approach represents a generalization of the iterative perturbation theory to arbitrary fillings. In the weak-coupling regime perturbation theory to second order in the interaction U is recovered. The theory is exact in the atomic limit. The high-energy behavior of the self-energy up to order 1/E2{\mathrm{E}}^{2}E2 and thereby the first four moments of the spectral density are reproduced correctly. Referring to a standard strong-coupling moment method, we analyze the limit U->\ensuremath{\infty}. Different modifications of the approach are discussed and tested by comparing with the results of an exact diagonalization study.