2008/06/04 by I. R. Shein, A. L. Ivanovskiĭ, A. L. Ivanovskii · 49 citations
Business, Management and Accounting · Materials Science · Physics and Astronomy · #Anisotropy #Arsenide #Condensed matter physics #Electronic structure #Intellectual Capital and Performance Analysis #Ion #Ionic bonding #Iron-based superconductors research #Magnetic susceptibility #Materials science #Paramagnetism #Pauli exclusion principle #Phase (matter) #Physics #Quantum mechanics #Superconductivity #Superconductivity in MgB2 and Alloys #Ternary operation #Tetragonal crystal system #cond-mat.supr-con
paper · pdf · doi:10.1134/s0021364008140087
published in Journal of Experimental and Theoretical Physics Letters 88(2), 107-110 (Pleiades Publishing) · 11 pages, 2 figures
arxiv created 2008/06/04 · openalex publication_date 2008/09/01 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
Based on first-principle FLAPW-GGA calculations, we have investigated the electronic structure of the newly discovered oxygen-free 38-K superconductor Ba1−x K x Fe2As2 in comparison with a parent phase—the tetragonal ternary iron arsenide BaFe2As2. The density of states, magnetic properties, near-Fermi band compositions, together with the Sommerfeld coefficients γ and the molar Pauli paramagnetic susceptibility χ have been evaluated. The results obtained allow us to classify these systems as quasi-two-dimensional ionic metals, where the conduction is strongly anisotropic, occurring only in the (Fe-As) layers. According to our calculations, in the case of the hole doping of BaFe2As2, the density of states at the Fermi level grows, which may be a factor promoting the occurrence of superconductivity for Ba1−x K x Fe2As2. On the other hand, Ba1−x K x Fe2As2 lies at the border of the magnetic instability and the pairing interactions might involve the magnetic or orbital fluctuations.