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Physical review. B, Solid state

Estimation of Spectra from Moments—Application to the Hubbard Model

Michael Ellis Fisher, William J. Camp

Published May 1, 1972• 24 citations
Publisher

Abstract

We discuss the approximate calculation of a Green's function and its spectral density from its low-order moments by the use of ratio-extrapolation techniques to estimate and factor off the dominant shape of the band edges. The techniques are illustrated, following Brinkman and Rice, on the problem of a single hole propagating in ferromagnetic, antiferromagnetic, and random electron-spin configurations in the atomic limit of the Hubbard model; the methods are, however, of wider applicability.

DOI
10.1103/physrevb.5.3730

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Results for the single-particle Green's function for the strong-coupling limit of the single-band Hubbard model ($t\ensuremath{-}J$ model) obtained by numerical and analytical methods are discussed. The numerical calculation of the spectral function is performed for small systems of up to 18 sites using the Lanczos method. A detailed analysis of the spectral functions for the $t\ensuremath{-}J$ model in one and two dimensions is given. We also investigate the effect of the next-nearest-neighbor hopping terms, which appear in order $\frac{{t}^{2}}{U}$ and are omitted in the standard $t\ensuremath{-}J$ model. The role of quantum fluctuations on the shape of the spectra and the fundamental difference between one and two dimensions is elucidated. In 2D we find evidence for a coherent quasiparticle band of width $2J$ with dispersion $^{\ensuremath{\omega}}\mathrm{k}\ensuremath{\sim}(\frac{J}{2}){(cos{k}_{x}+cos{k}_{y})}^{2}$ and spin $S=\frac{1}{2}$, which emerges at the low-energy edge of the incoherent spectrum. This form of dispersion is due to effective next-nearest-neighbor processes related to spin flips and agrees with our extension of the approach of Brinkman and Rice to finite $J$.

Physical review. B, Condensed matter•Feb 1, 1990•208 citations
We discuss the approximate calculation of a Green's function and its spectral density from its low-order moments by the use of ratio-extrapolation techniques to estimate and factor off the dominant shape of the band edges. The techniques are illustrated, following Brinkman and Rice, on the problem of a single hole propagating in ferromagnetic, antiferromagnetic, and random electron-spin configurations in the atomic limit of the Hubbard model; the methods are, however, of wider applicability.
A solution to the Hubbard model is presented which invokes the single assumption that the low-energy peak in the spectral weight function can be well approximated by a function which duplicates its zeroth, first, and second moments to a given order in the bandwidth. The solution takes advantage of the rigorous moment relations of Harris and Lange. A simple, exact, and unambiguous technique to evaluate the correlation functions, required for the moment relations, in the atomic limit is developed. These functions are used to calculate the moments which in turn generate a spectral weight function with no restriction on the electron density. The ground-state energy for the paramagnetic and ferromagnetic configurations are calculated and compared. The model is found to be ferromagnetic for moderate densities.
The density of hole states for the strongly correlated nearly-half-filled Hubbard model on d-dimensional hypercubic lattices is studied using the moment-expansion method of Brinkman and Rice. Analysis of the extended series suggests that the density of hole states, for antiferromagnetic and random electron spin configurations, has an essential singularity inside the ferromagnetic band edges for d=2, 3, 4, and 5 with characteristic exponents 0.50 and 0.39, respectively. In all cases there is a distinctive narrowing of the spectrum, which becomes more pronounced for larger d. For the dimensionalities studied, the antiferromagnetic case gave the narrowest spectra.
We must understand the physics of strongly interacting electrons if we are to have a fundamental understanding of magnetism. This paper treats the simplest model with this property — the Hubbard model. The moments of the spectral weight function (SWF), derived by Harris and Lange, are calculated in the atomic limit. These moments are used to generate an approximate SWF (including lifetime effects). The paramagnetic and ferromagnetic ground state energies are calculated and compared. There is no restriction on the electron density.
An analytic approach is presented of electronic one-particle spectra of the one-band Hubbard model at half filling in the antiferromagnetic phase. Starting from the strong-coupling regime U\ensuremath{\gg}:t, a projection technique is used to set up self-consistent coupled equations for the electron Green function, which are valid down to values U\ensuremath{\approx}t. The self-consistent equation for the hole propagator is a direct generalization of the one found from the t-J model. This gives further support to the ``string'' picture, where propagation of holes creates strings of overturned spins with which the holes interact. In the present work hopping of holes (or electrons) with up spin on the down sublattice is also taken into acount, as well as transitions between the lower and upper Hubbard bands. These are shown to change significantly the incoherent part of the t-J model spectra, by smearing out the shake-off peaks, reminiscent of higher bound string states due to multispin scattering. Coherent (quasiparticle) peaks exist at the band edges, on both sides of the insulating gap. We show that with decreasing U the quasiparticle concept loses its meaning for wave vectors at the center of the magnetic Brillouin zone (MBZ). For large values of U the dispersion of the quasiparticle is found to scale with its band width, which is of order J. Extrema are always found at k=(\ensuremath{\pi}/2,\ensuremath{\pi}/2). The weight of the quasiparticle at this k value decreases logarithmically with increasing U. In the strong-coupling limit the spectrum tends to be symmetric, i.e., to become an even function of the frequency around the chemical potential, for any wave vector. For small values of U the dispersion at the edge of the MBZ flattens away, as expected when approaching the noninteracting limit. The spectral function in this regime, for wave vectors away from the edge of the MBZ, is concentrated mainly on one side of the chemical potential.
Results for the single-particle Green's function for the strong-coupling limit of the single-band Hubbard model ($t\ensuremath{-}J$ model) obtained by numerical and analytical methods are discussed. The numerical calculation of the spectral function is performed for small systems of up to 18 sites using the Lanczos method. A detailed analysis of the spectral functions for the $t\ensuremath{-}J$ model in one and two dimensions is given. We also investigate the effect of the next-nearest-neighbor hopping terms, which appear in order t2U\frac{{t}^{2}}{U}Ut2​ and are omitted in the standard $t\ensuremath{-}J$ model. The role of quantum fluctuations on the shape of the spectra and the fundamental difference between one and two dimensions is elucidated. In 2D we find evidence for a coherent quasiparticle band of width 2J2J2J with dispersion $^{\ensuremath{\omega}}\mathrm{k}\ensuremath{\sim}(\frac{J}{2}){(cos{k}_{x}+cos{k}_{y})}^{2}$ and spin S=12S=\frac{1}{2}S=21​, which emerges at the low-energy edge of the incoherent spectrum. This form of dispersion is due to effective next-nearest-neighbor processes related to spin flips and agrees with our extension of the approach of Brinkman and Rice to finite JJJ.