Electronic structure of Ni-doped EuRbFe$_4$As$_4$: Unique crystal field splitting and multiband RKKY interactions

Chenchao Xu; Qijin Chen; Chao Cao

doi:10.1038/s42005-019-0112-1

paper

Electronic structure of Ni-doped EuRbFe $_{4}$ As $_{4}$ : Unique crystal field splitting and multiband RKKY interactions

arXiv:1902.06867 · doi:10.1038/s42005-019-0112-1

Abstract

The relationship between magnetism and superconductivity has been one of the most discussed topics in iron-based superconductors. Using the first-principles calculations, we have studied the electronic structure of 1144-type iron-based superconductor EuRbFe $_{4}$ As $_{4}$ . We find the crystal field splitting of EuRbFe $_{4}$ As $_{4}$ is unique, such that the $d_{z^{2}}$ orbitals are closer to the Fermi level $ε_{F}$ than the $d_{x y}$ orbitals. The RKKY interaction strength is estimated to be approximately 0.12 meV in prestine EuRbFe $_{4}$ As $_{4}$ . Upon Ni-doping on the Fe site, the RKKY interaction strength is barely changed upon Ni doping due to the highly anisotropic FSs and multiband effect, despite of the drastically reduced $d_{z x (y)}$ DOS at $ε_{F}$ . Finally, in both pristine and doped compounds, the RKKY interaction is primarily mediated through bands due to Fe- $d_{z^{2}}$ orbitals.Our calculations suggest the RKKY interaction mediated by $d_{z^{2}}$ orbital is probably responsible for the magnetism in EuRbFe $_{4}$ As $_{4}$ and doesn't change upon Ni-doping.

Electronic structure of Ni-doped EuRbFe $_{4}$ As $_{4}$ : Unique crystal field splitting and multiband RKKY interactions

Abstract

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Electronic structure of Ni-doped EuRbFe4​As4​: Unique crystal field splitting and multiband RKKY interactions

Abstract

References in corpus (24)

Cited by in corpus (8)

Electronic structure of Ni-doped EuRbFe $_{4}$ As $_{4}$ : Unique crystal field splitting and multiband RKKY interactions