利用混合阴离子策略设计d8结构的镍酸盐超导体

Naoya Kitamine, M. Ochi, K. Kuroki
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引用次数: 9

摘要

受最近提出的一种新型铜超导体Ba$_2$CuO$_{3+\delta}$超导机制的启发,我们理论上设计了一种具有$d^8$电子组态的非常规镍酸盐超导体。我们的策略是通过采用卤素或氢作为面外阴离子来扩大$3d_{x^2-y^2}$与其他$3d$轨道之间的场能差,使$d_{x^-y^2}$以外的$3d$能带刚好位于$d^8$结构的费米能级以下,作为增强超导性的初始能带。我们还讨论了本提议与最近发现的超导体(Nd,Sr)NiO$_2$的可能相关性。
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Designing nickelate superconductors with d8 configuration exploiting mixed-anion strategy
Inspired by a recently proposed superconducting mechanism for a new cuprate superconductor Ba$_2$CuO$_{3+\delta}$, 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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