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Electronic structure of LaFeAsO1xFx from x-ray absorption spectroscopy

T. Kroll, S. Bonhommeau, T. Kachel, H. A. Dürr, J. Werner, G. Behr, A. Koitzsch, R. Hübel, S. Leger, R. Schönfelder, A. K. Ariffin, R. Manzke, F. M. F. de Groot, J. Fink, H. Eschrig, B. Büchner, and M. Knupfer
Phys. Rev. B 78, 220502(R) – Published 3 December 2008

Abstract

We investigated the recently found superconductor LaFeAsO1xFx by x-ray absorption spectroscopy. From a comparison of the OK edge with LDA calculations we find good agreement and are able to explain the structure and changes in the spectra with electron doping. From experimental FeL2,3-edge spectra and charge-transfer multiplet calculations we gain further information on important physical values such as the hopping parameters, the charge-transfer energy Δ, and the Hubbard U. Furthermore we find the system to be very covalent with a large amount of ligand holes. A shift in the chemical potential is visible in the OK- and FeL2,3-edge spectra which emphasizes the importance of band effects in these compounds. From the entirety of our results we conclude that LaFeAsO is a bandwidth-dominated material.

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  • Received 20 June 2008

DOI:https://doi.org/10.1103/PhysRevB.78.220502

©2008 American Physical Society

Authors & Affiliations

T. Kroll1,*, S. Bonhommeau2, T. Kachel2, H. A. Dürr2, J. Werner1, G. Behr1, A. Koitzsch1, R. Hübel1, S. Leger1, R. Schönfelder1, A. K. Ariffin3, R. Manzke3, F. M. F. de Groot4, J. Fink1,2, H. Eschrig1, B. Büchner1, and M. Knupfer1

  • 1IFW Dresden, P.O. Box 270116, D-01171 Dresden, Germany
  • 2BESSY, Albert-Einstein-Strasse 15, 12489 Berlin, Germany
  • 3Institut für Physik, Humboldt-Universität zu Berlin, Newtonstrasse 15, 12489 Berlin, Germany
  • 4Department of Inorganic Chemistry and Catalysis, Utrecht University, Sorbonnelaan 16, 3584 CA Utrecht, The Netherlands

  • *Corresponding author. t.kroll@ifw-dresden.de

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Issue

Vol. 78, Iss. 22 — 1 December 2008

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