Electronic structure ofBa(Fe,Ru)2As2andSr(Fe,Ir)2As2alloys

2009/04/25 by Lijun Zhang, D. J. Singh
Materials Science · Physics and Astronomy · #Iron-based superconductors research #Physics of Superconductivity and Magnetism #Rare-earth and actinide compounds #cond-mat.supr-con

paper · pdf · doi:10.1103/physrevb.79.174530

published as Phys. Rev. B 79, 174530 (2009)

arxiv created 2009/04/25 · openalex publication_date 2009/05/29 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28

Abstract

The electronic structures of Ba(Fe,Ru)₂As₂ and Sr(Fe,Ir)₂As₂ are investigated using density functional calculations. We find that these systems behave as coherent alloys from the electronic structure point of view. In particular, the isoelectronic substitution of Fe by Ru does not provide doping but rather suppresses the spin-density wave characteristic of the pure Fe compound by a reduction in the Stoner enhancement and an increase in the bandwidth due to hybridization involving Ru. The electronic structure near the Fermi level otherwise remains quite similar to that of BaFe₂As₂. The behavior of the Ir alloy is similar except that in this case there is additional electron doping.

Citations

• Superconducting State inSrFe2−xCoxAs2by Internal Doping of the Iron Arsenide Layers
• Generalized Gradient Approximation Made Simple
• Competing orders and spin-density-wave instability in La(O 1−x F x )FeAs
• Superconductivity up to 29 K in SrFe2As2and BaFe2As2at high pressures
• Density functional study ofBaNi2As2: Electronic structure, phonons, and electron-phonon superconductivity
• Superconductivity at 22 K in Co-DopedBaFe2As2Crystals