Realistic DMFT calculations for nickelate superlattices

ORAL

Abstract

We present phase diagram, photo-emission and RIXS (resonant inelastic X-ray scattering) spectra, orbital polarization, and Fermi surface plots for LaNiO3/LaXO3 superlattice (X=Al, Ga,...) obtained from DMFT (dynamical mean-field theory) calculation based on a realistic multi-band tight-binding model derived from DFT (density functional theory) calculations and in particular including oxygen orbitals. Our results indicate that heterostructuring is unlikely to produce one band model physics and point toward a new view of metal-insulator transition of this system. This work is supported by ARO via grant No. W911NF0910345-56032PH.

–

Authors

  • M.J. Han

    • Columbia University

  • Xin Wang

    • Condensed Matter Theory Center, Department of Physics, University of Maryland, College Park, MD 20742
    • Condensed Matter Theory Center, Department of Physics, University of Maryland
    • University of Maryland

  • Chris A. Marianetti

    • Department of Applied Physics, Columbia University, New York, NY 10027, USA
    • Columbia University

  • Andrew J. Millis

    • Columbia University
    • Department of Physics, Columbia University, 538 West 120th Street, New York, NY 10027, USA
    • Department of Physics, Columbia University, New York, NY 10027