4.6 Article

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

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PHYSICAL REVIEW B
卷 78, 期 13, 页码 -

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AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.78.134511

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  1. Emmy-Noether Program of the DFG [RO-2460]
  2. MPIPKS

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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 J(H)=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.

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