論文

査読有り
2015年9月

First-Principles Study of Antimony Doping Effects on the Iron-Based Superconductor CaFe(SbxAs1-x)(2)

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN
  • Nagai, Yuki
  • ,
  • Nakamura, Hiroki
  • ,
  • Machida, Masahiko
  • ,
  • Kuroki, Kazuhiko

84
9
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.7566/JPSJ.84.093702
出版者・発行元
PHYSICAL SOC JAPAN

We study antimony doping effects on the iron-based superconductor CaFe(SbxAs1-x)(2) by using the first-principles calculation. The calculations reveal that the substitution of a doped antimony atom into As of the chainlike As layers is more stable than that into FeAs layers. This prediction can be checked by experiments. Our results suggest that doping homologous elements into the chainlike As layers, which only exist in the novel 112 system, is responsible for rising up the critical temperature. We discuss antimony doping effects on the electronic structure. It is found that the calculated band structures with and without the antimony doping are similar to each other within our framework.

Web of Science ® 被引用回数 : 6

リンク情報
DOI
https://doi.org/10.7566/JPSJ.84.093702
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000360590800002&DestApp=WOS_CPL