Evidence for weak electronic correlations in Fe pnictides

ORAL

Abstract

Using a combination of theoretical techniques we study the XAS and RIXS spectra of three different Fe-pnictide superconductors and parent compounds. Experimental data show that the XAS of the Fe-pnictides is similar to that of Fe metal. Motivated by this fact we analyze the size of electronic correlations, typified by Hubbard's ``U'' and Hund's ``J'', in the Fe-pnictides. Our exact diagonalization cluster calculations include explicit correlations and put an upper limit on U and J. Our relativistic Dirac atomic calculations show the relative unimportance of core-hole multiplet effects and spin-orbit coupling on the spectra. Finally, we present DFT based calculations of the XAS and XES spectra for three Fe-pnictides and Fe metal using the relativistic FEFF8 code and the WIEN2k code.

*DOE No. DE-AC02-76SF00515, DEFG02- 08ER4650, DE-AC02- 05CH11231, DE-AC02- 05CH11231, NERSC

Authors

  • Zahid Hussain

    • ALS
  • Adam Sorini

    • SLAC and Stanford
  • Wanli Yang

    • ALS
  • Cheng-Chien Chen

    • SLAC and Stanford
  • Brian Moritz

    • SLAC and Stanford
  • Wei-Sheng Lee

    • SLAC and Stanford
  • Jiun-Haw Chu

    • SLAC and Stanford
  • Jim Analytis

    • SLAC and Stanford
  • Ian Fisher

    • SLAC and Stanford
  • B. Delley

    • Paul Scherrer Institut
  • Francois Vernay

    • Paul Scherrer Institut
  • P. Olalde-Velasco

    • ALS
  • J. D. Denlinger

    • ALS
  • J. Yang

    • Chinese Academy of Sciences
  • W. Lu

    • Chinese Academy of Sciences
  • Z. X. Zhao

    • Chinese Academy of Sciences
  • Z. A. Ren

    • Chinese Academy of Sciences
  • Jeroen van den Brink

    • Leiden University
  • Z.-X. Shen

    • SLAC and Stanford
  • Tom Devereaux

    • SLAC and Stanford