Band structure of new layered 17 K superconductor Sr4Sc2Fe2P2O6 in comparison with hypothetical Sr4Sc2Fe2As2O6

2009/03/24 by I. R. Shein, Shein, I. R., A. L. Ivanovskiĭ +1
Chemistry · Materials Science · Physics and Astronomy · #FOS: Physical sciences #Inorganic Chemistry and Materials #Iron-based superconductors research #Materials Science (cond-mat.mtrl-sci) #Rare-earth and actinide compounds #Superconductivity (cond-mat.supr-con)

paper · pdf · doi:10.48550/arxiv.0903.4038

openalex publication_date 2009/03/24 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

The results of the ab initio FLAPW-GGA calculations of the band structure of the newly synthesized tetragonal (space group P4/nmm) layered iron phosphide-oxide: 17K superconductor Sr4Sc2Fe2P2O6 are presented. For Sr4Sc2Fe2P2O6 the optimized structural data, the energy bands, total and partial densities of states, Fermi surface topology, low-temperature electron specific heat and molar Pauli paramagnetic susceptibility have been determined and discussed in comparison with hypothetical isostructural iron arsenide-oxide phase Sr4Sc2Fe2As2O6 and related layered FeAs and FeP superconductors.

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