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Phys. Rev. B 78, 134511 (2008) [7 pages]

Normal-state correlated electronic structure of iron pnictides from first principles

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L. Craco1, M. S. Laad2, S. Leoni1, and H. Rosner1
1Max-Planck-Institut für Chemische Physik fester Stoffe, 01187 Dresden, Germany
2Max-Planck-Institut für Physik komplexer Systeme, 01187 Dresden, Germany

Received 23 May 2008; revised 17 September 2008; published 9 October 2008

We describe the correlated electronic structure of a prototype Fe-pnictide superconductor, SmO1−xFxFeAs, using local-density approximation plus dynamical mean-field theory. Strong, multiorbital electronic correlations generate a low-energy pseudogap in the undistorted phase, giving a bad, incoherent metal in qualitative agreement with observations. Very good semiquantitative agreement with the experimental spectral functions is seen (for U=4.0 eV and JH=0.7 eV) and interpreted within a correlated, multiorbital picture. Our results show that Fe pnictides should be understood as low-carrier density, incoherent metals, in resemblance to the underdoped cuprate superconductors.

© 2008 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.78.134511
DOI:
10.1103/PhysRevB.78.134511
PACS:
74.25.Jb, 71.27.+a, 74.70.−b