Screened-interaction expansion for the Hubbard model and determination of the quantum Monte Carlo Fermi surface

Gökhan Esirgen, Heinz-Bernd Schüttler, Carsten Gröber, and Hans Gerd Evertz
Phys. Rev. B 64, 195105 – Published 15 October 2001
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Abstract

We develop a systematic self-consistent perturbative expansion for the self-energy of Hubbard-like models. The interaction lines in the Feynman diagrams are dynamically screened by the charge fluctuations in the system. Although the formal expansion is exact—assuming that the model under the study is perturbative—only if diagrams to all orders are included, it is shown that for large-on-site-Coulomb-repulsion-U systems weak-coupling expansions to a few orders may already converge. In order to test the approximation at intermediate-to-high temperatures, we use the exact charge-fluctuation susceptibility from quantum Monte Carlo (QMC) simulation studies as input, which determines the exact screened interaction, and compare our results for the self-energy to the QMC results. We also make comparisons with fluctuation-exchange approximation. We show that the screened interaction for the large-U system can be vanishingly small at a certain intermediate electron filling, and it is found that our approximation for the imaginary part of the one-particle self-energy agrees well with the QMC results in the low-energy scales at this particular filling. But the usefulness of the approximation is hindered by the fact that it has the incorrect filling dependence when the filling deviates from this value. We also calculate the exact QMC Fermi surfaces for the two-dimensional (2D) Hubbard model for several fillings. Our results near half filling show extreme violation of the concepts of the band theory; in fact, instead of growing, the Fermi surface vanishes when doped toward the half-filled Mott-Hubbard insulator. Sufficiently away from half filling, noninteractinglike Fermi surfaces are recovered. These results combined with the Luttinger theorem might show that diagrammatic expansions for the nearly-half-filled Hubbard model are unlikely to be possible; however, the nonperturbative part of the solution seems to be less important as the filling gradually moves away from one half. Results for the 2D one-band Hubbard model for several hole dopings are presented. Implications of this study for the high-temperature superconductors are also discussed.

  • Received 25 May 2001

DOI:https://doi.org/10.1103/PhysRevB.64.195105

©2001 American Physical Society

Authors & Affiliations

Gökhan Esirgen* and Heinz-Bernd Schüttler

  • Center for Simulational Physics, Department of Physics and Astronomy, University of Georgia, Athens, Georgia 30602-2451

Carsten Gröber and Hans Gerd Evertz

  • Institut für Theoretische Physik, Am Hubland, Universität Würzburg, D-97074 Würzburg, Germany

  • *Present address: Department of Physics, University of California, Davis, CA 95616-8677 and Lawrence Livermore National Laboratory, University of California, Livermore, CA 94550-9234. Electronic address: esirgen@ucdavis.edu
  • Present address: Institut für Theoretische Physik, Technische Universität Graz, 8010 Graz, Austria.

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Issue

Vol. 64, Iss. 19 — 15 November 2001

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