2008/05/30 by I. R. Shein, V. L. Kozhevnikov, A. L. Ivanovskiĭ +1 · 21 citations
Chemistry · Materials Science · Physics and Astronomy · #Anisotropy #Bismuth #Chemistry #Condensed matter physics #Covalent bond #Density of states #Electron #Electronic band structure #Electronic structure #Fermi level #Fermi surface #Ion #Ionic bonding #Iron-based superconductors research #Materials science #Physics #Physics of Superconductivity and Magnetism #Quantum mechanics #Superconductivity #Superconductivity in MgB2 and Alloys #cond-mat.supr-con
paper · pdf · doi:10.1103/physrevb.78.104519
published in Physical Review B 78(10) (American Physical Society) · 13 pages, 5 figures
arxiv created 2008/05/30 · openalex publication_date 2008/09/18 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
Based on first-principle full-potential linearized augmented plane wave generalized gradient approximation calculations, we have investigated electronic structure of synthesized superconductors LaMBiO, where M=Ni or Cu as examples of bismuth-containing compounds in the family of superconducting quaternary oxypnictides. The band structure, density of states, and Fermi-surface features are discussed. Our results indicate that chemical bonding inside La-O and M-Bi layers is covalent while the interlayer binding is mostly ionic. The states of M-Bi layers are found to prevail at the Fermi level. The corresponding Fermi surfaces bear a two-dimensional character thus suggesting strongly anisotropic conduction mostly via M-Bi layers. On the whole, the oxybismuthides may be described as superconducting nonmagnetic ionic metals.