Extending the Gutzwiller approximation to intersite interactions

ORAL

Abstract

We develop an extension of the Gutzwiller Approximation (GA) formalism which includes the effects of Coulomb interactions of arbitrary range (including density density, exchange, pair hopping and Coulomb assisted hopping terms). This formalism reduces to the ordinary GA formalism for the multi-band Hubbard models in the presence of only local interactions. This is accomplished by combining the 1/z expansion - where z is the coordination number and only the leading order terms contribute in the limit of infinite dimensions- with a P^2-I expansion, where P is the Gutzwiller projector on a site R. The method is conveniently formulated in terms of a Gutzwiller Lagrange function. We apply our theory to the single band t-J model and the extended single band Hubbard model. We find a Mott transition but for the extended Hubbard model. An enhanced valence fluctuations transition is also discovered.

*This work was supported by the Computational Materials Sciences Program funded by the US Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. N. L. was supportedby the VILLUM FONDEN via the Centre of Excellence for Dirac Materials (Grant No. 11744).

Presenters

  • Garry Goldstein

    • Rutgers University, New Brunswick

Authors

  • Garry Goldstein

    • Rutgers University, New Brunswick
  • Gabriel Kotliar

    • Rutgers University, New Brunswick
    • Rutgers University
    • Condensed Matter Physics, Brookhaven National Laboratory
    • Department of Physics and Astronomy, Rutgers University, New Brunswick
    • Department of Physics and Astronomy, Rutgers University
  • Nicola Lanata

    • Physics, Aarhus University