2013/10/22 by M. Winiarski, M. J. Winiarski, M. Samsel–Czekała +1
Chemistry · Materials Science · Physics and Astronomy · #Chemistry #Condensed matter physics #Density of states #Electron #Electronic structure #Fermi level #Fermi surface #Intermetallic #Iron-based superconductors research #Magnetic moment #Materials science #Metallurgy #Mineralogy #Physics #Quantum mechanics #Rare earth #Rare-earth and actinide compounds #Silicide #Silicon #Superconductivity #Superconductivity in MgB2 and Alloys #cond-mat.supr-con
paper · pdf · doi:10.1016/j.solidstatesciences.2013.10.006
published as Solid State Sci. 26 (2013) 134 · 14 pages, 5 figures
openalex publication_date 2013/10/22 · arxiv created 2014/09/05 · arxiv updated 2014/09/08 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
The electronic structures of R2Fe3Si5 (where R = Lu, Tm, Er, Tb, Yb) intermetallics have been calculated from first principles in local-spin density (LSDA) and LSDA + U approaches. The majority of rare-earth iron silicides, except for the heavy-fermion Yb-based compound, exhibit almost equal values of density of states at the Fermi level (EF) as well as very similar Fermi surface topology. The electronic structure around EF in the 235-type Fe-based compounds is completely dominated by the Fe 3d states. Thus the different superconducting properties of some members of the R2Fe3Si5 family are rather related to a presence of local magnetic moments of R-atoms than to electronic-structure features at EF.