MATERIALS TRANSACTIONS
Online ISSN : 1347-5320
Print ISSN : 1345-9678
ISSN-L : 1345-9678

この記事には本公開記事があります。本公開記事を参照してください。
引用する場合も本公開記事を引用してください。

Electronic Properties of Sr4V2O6Fe2As2 Superconductor by Mean of DFT Investigations
Thi Ly MaiVinh Hung Tran
著者情報
ジャーナル フリー 早期公開

論文ID: MT-MN2019008

この記事には本公開記事があります。
詳細
抄録

Based on the Full potential linearized augmented plane wave (FLAPW) method, the electronic properties of incommensurate anti-ferromagnetic Sr4V2O6Fe2As2 with wave vector q = (0, 0, 0.306) have been investigated. Comparing total energy between those of non-magnetic and incommensurate anti-ferromagnetic states (i-AF) we suggest that the i-AF is the stable configuration in this superconductor. The density of states data exhibit strong spin-polarized effect on the V site and possible hybridization between V-3d and Fe-3d orbitals. We found as many as six bands crossing the Fermi level, indicating strong inter-band scattering. The analysis of Fermi surfaces reveals a multi-sheet character, which is compiled of several hole-type cylinders around the center and electron-type sheets at the corners of the Brillouin zone.

Fermi surfaces of Sr2V4O6Fe2As2 show the nodal-gap structure. Fullsize Image
著者関連情報
© 2020 The Japan Institute of Metals and Materials
feedback
Top