- 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
Web of Science ® の 関連論文(Related Records®)ビュー