Electronic properties of CuO2-planes: A DMFT study

M. B. Zölfl, Th Maier, Th Pruschke, J. Keller

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21 Scopus citations

Abstract

We study one-particle spectra and the electronic band-structure of a CuO2-plane within the three-band Hubbard model. The Dynamical Mean-Field Theory (DMFT) is used to solve the many particle problem. The calculations show that the optical gap Δopt is given by excitations from the lower Hubbard band into the so called Zhang-Rice singlet band. The optical gap Δopt turns out to be considerably smaller than the bare charge transfer energy Δ (Δ = ∈p - ∈d) for a typical set of parameters, which is in agreement with experiment. We also investigate the dependence of the shape of the Fermi surface on the different hopping parameters tCuO and tOO. A value tOO/tCuO > 0 leads to a Fermi surface surrounding the M point.

Original languageEnglish
Pages (from-to)47-53
Number of pages7
JournalZeitschrift für Physik B Condensed Matter
Volume13
Issue number1
DOIs
StatePublished - Jan 1 2000
Externally publishedYes

Keywords

  • 71.27.+a strongly correlated electron systems; heavy fermions
  • 71.30.+h metal-insulator transitions and other electronic transitions
  • 74.25.Fy transport properties (electric and thermal conductivity, thermoelectric effects, etc.)

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