4.6 Article

Electronic structure of LaFeAsO1-xFx from x-ray absorption spectroscopy

Journal

PHYSICAL REVIEW B
Volume 78, Issue 22, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.78.220502

Keywords

charge exchange; chemical potential; Fermi level; high-temperature superconductors; Hubbard model; iron compounds; lanthanum compounds; superconducting materials; X-ray absorption spectra

Funding

  1. DFG [SFB 463, KR 3611/1-1, SPP1133]

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We investigated the recently found superconductor LaFeAsO1-xFx by x-ray absorption spectroscopy. From a comparison of the O K 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 Fe L-2,L-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 Delta, 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 O K- and Fe L-2,L-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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