Electronic structure ofCeFeAsO1−xFx(x=0, 0.11, and 0.12)

2010/07/09 by Federica Bondino, F. Bondino, E. Magnano +23
Chemistry · Materials Science · Physics and Astronomy · #Absorption spectroscopy #Analytical Chemistry (journal) #Atomic physics #Cerium #Chemistry #Computational chemistry #Condensed matter physics #Density functional theory #Electronic structure #Inorganic Chemistry and Materials #Iron-based superconductors research #Materials science #Optics #Physics #Rare-earth and actinide compounds #Valence (chemistry) #cond-mat.str-el #cond-mat.supr-con

paper · pdf · doi:10.1103/physrevb.82.014529

published as Physical Review B 82, 014529 (2010) · Accepted for publication in Phys. Rev. B

arxiv created 2010/07/09 · openalex publication_date 2010/07/23 · arxiv updated 2010/07/27 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05

Abstract

We report an extensive study on the intrinsic bulk electronic structure of the high-temperature superconductor CeFeAsO_0.89F_0.11 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 Ce f⁰ 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.

Citations

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