Effects of single- and multi-substituted Zn ions in doped 122-type iron-based superconductors

Yuanyuan Zhao, Bo Li, Wei Li, Hong Yi Chen, Kevin E. Bassler, C. S. Ting

研究成果: 雜誌貢獻期刊論文同行評審

1 引文 斯高帕斯(Scopus)

摘要

Recent experiments on Zn-substituted 122-type iron-based superconductors (FeSCs) at electron- and hole-doped regions provide us with a testing ground for understanding the effect of Zn impurities in these systems. Our first-principles calculations of the electronic structure reveal that the Zn 3d orbitals are far below the Fermi level and are chemically inactive, while the Zn 4s orbital is partially occupied and its wave function overlaps with the 3d orbitals of neighboring Fe ions. This suggests that the impurity effect originates in the Zn 4s orbital, not its 3d orbitals. Employing a phenomenological two-orbital lattice model for 122-FeSCs and the self-consistent Bogoliubov-de Gennes equations, we study how the Zn impurities suppress the superconductivity in electron- and hole-doped compounds. Our obtained results qualitatively agree with the experimental measurements.

原文英語
文章編號144510
期刊Physical Review B
93
發行號14
DOIs
出版狀態已發佈 - 2016 四月 19

ASJC Scopus subject areas

  • 電子、光磁材料
  • 凝聚態物理學

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