Electronic structure of CeFeAsO1xFx (x=0, 0.11, and 0.12)

F. Bondino, E. Magnano, C. H. Booth, F. Offi, G. Panaccione, M. Malvestuto, G. Paolicelli, L. Simonelli, F. Parmigiani, M. A. McGuire, A. S. Sefat, B. C. Sales, R. Jin, P. Vilmercati, D. Mandrus, D. J. Singh, and N. Mannella
Phys. Rev. B 82, 014529 – Published 23 July 2010

Abstract

We report an extensive study on the intrinsic bulk electronic structure of the high-temperature superconductor CeFeAsO0.89F0.11 and its parent compound CeFeAsO by soft and hard x-ray photoemissions, x-ray absorption, and soft x-ray emission spectroscopies. The complementary surface/bulk probing depth, and the elemental and chemical sensitivity of these techniques allow resolving the intrinsic electronic structure of each element and correlating it with the local structure, which has been probed by extended x-ray absorption fine-structure spectroscopy. The measurements indicate a predominant 4f1 (i.e., Ce3+) initial-state configuration for cerium and an effective valence-band-to-4f charge-transfer screening of the core hole. The spectra also reveal the presence of a small Cef0 initial-state configuration, which we assign to the occurrence of an intermediate-valence state. The data reveal a reasonably good agreement with the partial density of states as obtained in standard density-functional calculations over a large energy range. Implications for the electronic structure of these materials are discussed.

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  • Received 14 January 2010

DOI:https://doi.org/10.1103/PhysRevB.82.014529

©2010 American Physical Society

Authors & Affiliations

F. Bondino1, E. Magnano1, C. H. Booth2, F. Offi3, G. Panaccione1, M. Malvestuto4, G. Paolicelli5, L. Simonelli6, F. Parmigiani1,7, M. A. McGuire8, A. S. Sefat8, B. C. Sales8, R. Jin8,9, P. Vilmercati9, D. Mandrus8, D. J. Singh8, and N. Mannella9,*

  • 1Laboratorio TASC, IOM-CNR, S.S. 14 km 163.5, Basovizza, I-34149 Trieste, Italy
  • 2Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
  • 3CNISM and Dipartimento di Fisica, Università Roma Tre, Via della Vasca Navale 84, I-00146 Roma, Italy
  • 4Sincrotrone Trieste S.C.p.A, Area Science Park, S.S. 14 km 163.5, Basovizza, I-34149 Trieste, Italy
  • 5National Research Center S3, CNR-INFM, Via Campi 213/a, I-41100 Modena, Italy
  • 6European Synchrotron Radiation Facility, BP 220, 38042 Grenoble, France
  • 7Dipartimento di Fisica, Università degli Studi di Trieste, I-34124 Trieste, Italy
  • 8Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA
  • 9Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee, USA

  • *Corresponding author; nmannell@utk.edu

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Vol. 82, Iss. 1 — 1 July 2010

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