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

2008/05/23 by L. Craco, M. S. Laad, S. Leoni +3 · 1 citation
Materials Science · Physics and Astronomy · #Condensed matter physics #Cuprate #Density functional theory #Density of states #Dynamical mean field theory #Electronic structure #Iron-based superconductor #Iron-based superconductors research #Materials science #Metal #Phase (matter) #Physics #Physics of Superconductivity and Magnetism #Pnictogen #Pseudogap #Quantum mechanics #Rare-earth and actinide compounds #Superconductivity #cond-mat.str-el #cond-mat.supr-con

paper · pdf · doi:10.1103/physrevb.78.134511

published as extended version published in Phys. Rev. B 78, 134511 (2008) · 4 pages, 3 figures

arxiv created 2008/05/23 · openalex publication_date 2008/10/09 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05

Abstract

We describe the correlated electronic structure of a prototype Fe-pnictide superconductor, SmO_1\ensuremath-xF_xFeAs, 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.

Citations

• Correlated Electronic Structure ofLaO1−xFxFeAs
• F<mml:mprescripts/><mml:none/>19NMR investigation of the iron pnictide superconductorLaFeAsO0.89F0.11
• As<mml:mprescripts/><mml:none/>75NMR Studies of SuperconductingLaFeAsO0.9F0.1
• Competing orders and spin-density-wave instability in La(O 1−x F x )FeAs
• Interband Proximity Effect and Nodes of Superconducting Gap inSr2RuO4
• Minimal two-band model of the superconducting iron oxypnictides
• Strong Correlations and Magnetic Frustration in the HighTcIron Pnictides
• Superconducting Energy Gap andc-Axis Plasma Frequency of(Nd,Sm)FeAsO0.82F0.18Superconductors from Infrared Ellipsometry
• Ab initio Derivation of Low-Energy Model for Iron-Based Superconductors LaFeAsO and LaFePO
• Electronic structure calculations using dynamical mean field theory
• Origin of the 150-K Anomaly in LaFeAsO: Competing Antiferromagnetic Interactions, Frustration, and a Structural Phase Transition

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