Phys. Rev. B 80, 054508 (2009) [6 pages]Contribution of Fe 3d states to the Fermi level of CaFe2As2Received 29 January 2009; revised 20 July 2009; published 7 August 2009 We present density functional theory (DFT) calculations and soft x-ray spectra (soft x-ray spectroscopy and x-ray photoelectron spectra) measurements of single-crystal CaFe2As2. The experimental valence-band spectra are consistent with our DFT calculations. Both theory and experiment show that the Fe 3d states dominate the Fermi level and hybridize with Ca 3d states. The simple shape of x-ray photoelectron Fe 2p core level spectrum (without any satellite structure typical for correlated systems) suggests that the Fe 3d electrons are weakly or at most moderately correlated. © 2009 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.80.054508
DOI:
10.1103/PhysRevB.80.054508
PACS:
74.70.−b, 78.70.En, 71.15.Dx
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