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arXiv:cond-mat/9802113

Precursors of Antiferromagnetic and Hubbard Bands in the 2D Hubbard Model

Bumsoo Kyung

Published Feb 11, 1998• 0 citations
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Abstract

We formulate a theory to the 2D Hubbard model in a framework free of finite size effect and numerical analytical continuation, yet containing the essential features of the 2D Hubbard model, i.e., the correct atomic limit for large frequencies and 2D spin fluctuations. As temperature is decreased for a 2D half-filled band, 2D critical fluctuations give rise to a strong local maximum in the scattering rates at the chemical potential leading to a split peak in the spectral function. As U is increased, four peaks associated with antiferromagnetic and Hubbard bands begin to develop in small and intermediate frequency regimes.

DOI
10.48550/arxiv.cond-mat/9802113

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We formulate a theory to the 2D Hubbard model in a framework free of finite size effect and numerical analytical continuation, yet containing the essential features of the 2D Hubbard model, i.e., the correct atomic limit for large frequencies and 2D spin fluctuations. As temperature is decreased for a 2D half-filled band, 2D critical fluctuations give rise to a strong local maximum in the scattering rates at the chemical potential leading to a split peak in the spectral function. As U is increased, four peaks associated with antiferromagnetic and Hubbard bands begin to develop in small and intermediate frequency regimes.
We study the temperature and doping dependence of the two-dimensional (2D) Hubbard model in the intermediate coupling regime (U=4).(U=4).(U=4). As temperature is decreased for a half-filled band, 2D critical spin fluctuations give rise to a strong local maximum in $|\mathrm{Im}\ensuremath{\Sigma}({k}_{F},\ensuremath{\omega})|$ at $\ensuremath{\omega}=0,$ leading to a split peak in the spectral function. These strong fluctuations dominating near half filling are completely destroyed by 12% doping concentration. Below this concentration the imaginary part of the self-energy vanishes nearly quadratically in frequency at the Fermi energy, a Fermi-liquid-like feature. With varying the temperature at this concentration, we present numerical evidence for the band Kondo effect in the doped 2D Hubbard model by showing at low temperatures a growing peak in the density of states, nearly quadratically vanishing (in frequency) scattering rates at the Fermi energy and a linearly vanishing (in temperature) effective magnetic moment.
We present the doping dependence of the spectral functions, density of states and low frequency behavior of the self-energy for the 2D Hubbard model on the basis of our recently developed theory for the Hubbard model. Strong 2D critical spin fluctuations dominating near half-filling are completely destroyed by 13 and 20 percent doping concentrations for U=4 and 8, respectively. Below these concentrations the imaginary part of the self-energy vanishes quadratically in frequency near the Fermi energy, a characteristic feature for the Fermi liquid.
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.
Starting from the Hubbard model in the weak-coupling limit, we derive a spin-fermion model where the collective spin excitations are described by a nonlinear sigma model. This result is used to compute the fermion spectral function $A(\mathbf{k},\ensuremath{\omega})$ in the low-temperature regime where the antiferromagnetic (AF) coherence length is exponentially large (``renormalized classical'' regime). At the Fermi level, $A({\mathbf{k}}_{F},\ensuremath{\omega})$ exhibits two peaks around $\ifmmode\pm\else\textpm\fi{}{\ensuremath{\Delta}}_{0}$ (with ${\ensuremath{\Delta}}_{0}$ the mean-field gap), which are precursors of the zero-temperature AF bands, separated by a pseudogap.
A solution for the Hubbard Hamiltonian in the half-filled-band case is presented, which takes into account the degeneracy of the ground state in the atomic limit and also correctly interpolates to the limit Coulomb energy U to 0. It is shown explicitly which approximations lead to Hubbard's improved decoupling scheme and other existing approximate solutions. Taking into account the antiferromagnetic character of the ground state the splitting of the two sub-bands in the case of large U is enhanced. The band gap is shown to decrease with increasing temperatures.