论文标题

使用$ d^8 $配置利用混合动物策略设计镍超导体

Designing nickelate superconductors with $d^8$ configuration exploiting mixed-anion strategy

论文作者

Kitamine, Naoya, Ochi, Masayuki, Kuroki, Kazuhiko

论文摘要

受到新提议的超导力机制的启发,用于新的库酸盐超导体BA $ _2 $ cuo $ _ {3+δ} $,我们从理论上设计了一种非常规的镍超导体,具有$ d^8 $ electron的$ d^8 $电子配置。我们的策略是通过采用卤素或氢作为平面外阴离子,扩大现场的能源差和其他$ 3D $轨道,以使$ d_ {x^-y^2} $以外的$ 3D $带在$ d^8 $ d^8 $ d^8 $ d^8 $下的$ 3D $ bands,以置于$ d^8 $ d^8 $ d^8 $ d^8 $上。我们还讨论了本提案与最近发现的超导体(ND,SR)Nio $ _2 $的可能相关性。

Inspired by a recently proposed superconducting mechanism for a new cuprate superconductor Ba$_2$CuO$_{3+δ}$, we theoretically design an unconventional nickelate superconductor with $d^8$ electron configuration. Our strategy is to enlarge the on-site energy difference between $3d_{x^2-y^2}$ and other $3d$ orbitals by adopting halogens or hydrogen as out-of-plane anions, so that the $3d$ bands other than $d_{x^-y^2}$ lie just below the Fermi level for the $d^8$ configuration, acting as incipient bands that enhance superconductivity. We also discuss a possible relevance of the present proposal to the recently discovered superconductor (Nd,Sr)NiO$_2$.

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