Theoretical Analysis on the Band Structure Variance of the Electron Doped 1111 Iron-based Superconductors

We perform first principles band calculation of electron doped iron-based superconductors adopting the virtual crystal approximation. We find that when electrons are doped by element substitution in the blocking layer, the band structure near the Fermi level is affected due to the increase of the po...

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Bibliographic Details
Published inPhysics procedia Vol. 58; pp. 38 - 41
Main Authors Suzuki, K., Usui, H., Iimura, S., Sato, Y., Matsuishi, S., Hosono, H., Kuroki, K.
Format Journal Article
LanguageEnglish
Published Elsevier B.V 2014
Subjects
doping effect
iron-based superconductors
theoretical analysis
virtual crystal approximation
iron-based superconductors
doping effect
theoretical analysis
virtual crystal approximation
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Summary:We perform first principles band calculation of electron doped iron-based superconductors adopting the virtual crystal approximation. We find that when electrons are doped by element substitution in the blocking layer, the band structure near the Fermi level is affected due to the increase of the positive charge in the layer. On the other hand, when Fe in the conducting layer is substituted by Co, the band structure is barely affected. This difference should be a key factor in understanding the phase diagram of the heavily doped electron doped systems LnFeAsO1-xHx.
ISSN:1875-3892
1875-3892
DOI:10.1016/j.phpro.2014.09.010