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arXiv:cond-mat/9809290 · Nuclear Physics B

Physical picture of the gapped excitation spectrum of the one-dimensional Hubbard model

Daniel Braak, Natan Andrei

Published Mar 1, 1999• 12 citations
arXivHTMLPDF
DOI
10.1016/s0550-3213(98)00811-6

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Predominance of the multimagnon incoherent component and minuteness of the zero-magnon coherent component in one-body Green’s functions for half-filled Hubbard models

Norikazu Tomita, Keiichirō Nasu

Weights of the multimagnon (incoherent) component and the zero-magnon (coherent) one in the Lehmann's spectral representation of the one-body Green's functions are determined for the one- and the two-dimensional half-filled Hubbard models. The one-body Green's functions with specific momenta are calculated by means of a quantum Monte Carlo simulation. To distinguish the coherent component from the incoherent one in this Lehmann's spectrum, a site-diagonal staggered potential $\ensuremath{\Delta}$ is artificially added to the Hubbard models. Due to this $\ensuremath{\Delta},$ an energy gap opens in the magnon excitation, and as a result, the coherent component is clearly separated from the incoherent one. Systematic analysis on the $\ensuremath{\Delta}$ dependence of these two components shows that the weight of the coherent component is less than a few percent for each dimension in the limit of $\stackrel{\ensuremath{\rightarrow}}{\ensuremath{\Delta}}0,$ which corresponds with the usual Hubbard model. This means that the incoherent component predominates the spectrum, while the coherent component makes only a minute contribution. In contrast to the widely accepted one-electron band picture, our calculations indicate that the so-called lower Hubbard band peak in the photoemission spectrum of the metal-oxide insulator originates mainly from this incoherent component. It does not correspond with the coherent one that reflects a one-electron state.

Physical review. B, Condensed matter•Sep 15, 1999•18 citations
Exact results for the one-hole excitation spectra of the one-dimensional half-filled Hubbard Hamiltonian are presented. We consider short chains of N=2, 4, 6 atoms and introduce modified periodic boundary conditions which allow us to make a comparison between different N and to extrapolate the results up to infinite chains. By the increasing weight of the scattering states in the one-hole spectrum, we demonstrate a gradual disappearance of the free-electron (band) picture with increasing local electron-electron interaction U. The exact spectra of the N=6 chain verify the results of second-order perturbation theory for U/W1, where W is the bandwidth. The extrapolation to the infinite system, made with the finite-cell-scaling method, gives the gap which agrees rather well with the exact result for U/W>0.2. The average energies and weights of the band and scattering states obtained with this method for an infinite chain do not differ significantly from those of the N=6 chain.
Weights of the multimagnon (incoherent) component and the zero-magnon (coherent) one in the Lehmann's spectral representation of the one-body Green's functions are determined for the one- and the two-dimensional half-filled Hubbard models. The one-body Green's functions with specific momenta are calculated by means of a quantum Monte Carlo simulation. To distinguish the coherent component from the incoherent one in this Lehmann's spectrum, a site-diagonal staggered potential $\ensuremath{\Delta}$ is artificially added to the Hubbard models. Due to this $\ensuremath{\Delta},$ an energy gap opens in the magnon excitation, and as a result, the coherent component is clearly separated from the incoherent one. Systematic analysis on the $\ensuremath{\Delta}$ dependence of these two components shows that the weight of the coherent component is less than a few percent for each dimension in the limit of $\stackrel{\ensuremath{\rightarrow}}{\ensuremath{\Delta}}0,$ which corresponds with the usual Hubbard model. This means that the incoherent component predominates the spectrum, while the coherent component makes only a minute contribution. In contrast to the widely accepted one-electron band picture, our calculations indicate that the so-called lower Hubbard band peak in the photoemission spectrum of the metal-oxide insulator originates mainly from this incoherent component. It does not correspond with the coherent one that reflects a one-electron state.