Electronic properties of superconducting Sr4V2Fe2As2O6 versus Sr4Sc2Fe2As2O6

Abstract

First principle FLAPW-GGA calculations have been performed with the purpose to understand the peculiarities of band structure and Fermi surface topology for recently discovered superconductor: Sr4V2Fe2As2O - in comparison with isostructural phase Sr4Sc2Fe2As2O6. Our main finding is that the replacement of Sc on vanadium leads to drastic transformation of electronic, magnetic and conductive properties of these materials: as against non-magnetic Sr4Sc2Fe2As2O6 which is formed from non-magnetic conducting [Fe2As2] and insulating [Sr4Sc2O6] blocks, Sr4V2Fe2As2O6 consists from non-magnetic conducting [Fe2As2] blocks and [Sr4V2O6] blocks which exhibit magnetic half-metallic properties.

arXiv comment12 pages, 5 figures

References in corpus (4)

• Transition of stoichiometricSr2VO3FeAs to a superconducting state at 37.2 K
• Possible high temperature superconductivity in Ti-doped A-Sc-Fe-As-O (A= Ca, Sr) system
• Band structure of new layered 17 K superconductor Sr4Sc2Fe2P2O6 in comparison with hypothetical Sr4Sc2Fe2As2O6
• Electronic structure of Ti-doped Sr4Sc2Fe2As2O6

Cited by in corpus (1)

• Fermiology of Sr4V2O6Fe2As2: Quasi-Nested Fe vs Mott-Insulating V Orbitals