Direct probe of the variability of Coulomb correlation in iron pnictide superconductors

P. Vilmercati, C. Parks Cheney, F. Bondino, E. Magnano, M. Malvestuto, M. A. McGuire, A. S. Sefat, B. C. Sales, D. Mandrus, D. J. Singh, M. D. Johannes, and N. Mannella
Phys. Rev. B 85, 235133 – Published 20 June 2012

Abstract

We use core-valence-valence Auger spectra to probe the Coulomb repulsion between holes in the valence band of Fe pnictide superconductors. By comparing the two-hole final-state spectra to density functional theory calculations of the single-particle density of states, we extract a measure of the electron correlations that exist in these systems. Our results show that the Coulomb repulsion is highly screened and can definitively be considered as weak. We also find that there are differences between the 1111 and 122 families and even a small variation as a function of the doping x in Ba(Fe1xCox)2As2. We discuss how the values of the hole-hole Coulomb repulsion obtained from our study relate to the onsite Coulomb parameter U used in model and first-principles calculations based on dynamical mean field theory and establish an upper bound for its effective value. Our results impose stringent constraints on model-based phase diagrams that vary with the quantity U or U/W by restricting the latter to a rather small range of values.

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  • Received 14 March 2012

DOI:https://doi.org/10.1103/PhysRevB.85.235133

©2012 American Physical Society

Authors & Affiliations

P. Vilmercati1,2, C. Parks Cheney1, F. Bondino3, E. Magnano3, M. Malvestuto4, M. A. McGuire5, A. S. Sefat5, B. C. Sales5, D. Mandrus5,6, D. J. Singh5, M. D. Johannes7, and N. Mannella1,*

  • 1Department of Physics and Astronomy, University of Tennessee Knoxville, 1408 Circle Drive, Knoxville, Tennessee 37996, USA
  • 2Joint Institute of Advanced Materials, University of Tennessee Knoxville, Knoxville, Tennessee, 37996, USA
  • 3Laboratorio TASC, IOM-CNR, S.S. 14 km 163.5, Basovizza, I-34149 Trieste, Italy
  • 4Sincrotrone Trieste S.C.p.A, Area Science Park, S.S. 14 km 163.5, Basovizza, I-34149 Trieste, Italy
  • 5Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6056, USA
  • 6Department of Material Science and Engineering, University of Tennessee Knoxville, 1512 Middle Drive, Knoxville, Tennessee 37996, USA
  • 7Center for Computational Materials Science, Naval Research Laboratory, Washington, DC 20375, USA

  • *Author to whom correspondence should be addressed: nmannell@utk.edu

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Issue

Vol. 85, Iss. 23 — 15 June 2012

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