The predominant Ni-multiorbital nature of infinite-layer neodynium nickelate at stoichiometry and with doping is revealed. We investigate the correlated electronic structure of ${\mathrm{NdNiO}}_2$ at lower temperatures and show that first-principles many-body theory may account for Kondo(-lattice) features. Yet, those features are not only based on localized $\mathrm{Ni}\text{−}{d}_{x^2-y^2}$ and a Nd-dominated self-doping band, but they heavily build on the participation of $\mathrm{Ni}\text{−}{d}_{z^2}$ in a Hund-assisted manner. In a tailored three-orbital study, the half-filled regime of the former in-plane Ni orbital remains surprisingly robust even for substantial hole doping $\delta$. Reconstructions of the interacting Fermi surface designate the superconducting region within the experimental phase diagram. Furthermore, they provide clues to recent Hall measurements, as well as to the astounding weakly insulating behavior at larger experimental $\delta$. Finally, a strong asymmetry between electron and hole doping, with a revival of Ni single-orbital features in the former case, is predicted. Unlike cuprates, superconductivity in ${\mathrm{Nd}}_{1-x}{\mathrm{Sr}}_x{\mathrm{NiO}}_2$ is of distinct multiorbital kind, building up on nearly localized $\mathrm{Ni}\text{−}{d}_{x^2-y^2}$ and itinerant $\mathrm{Ni}\text{−}{d}_{z^2}$.

中文翻译：

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多轨道过程统治Nd1-xSrxNiO2正常状态

揭示了在化学计量和掺杂下无限层镍酸钕的主要Ni多轨道性质。我们研究了相关的电子结构${钕}_2$在较低的温度下，表明第一原理多体理论可能解释了Kondo（-lattice）特征。但是，这些功能不仅基于本地化$你\text{-}{d}_{X^2-{ÿ}^2}$ 和一个以Nd为主的自掺杂带，但是它们在很大程度上依赖于 $你\text{-}{d}_{{ž}^2}$以Hund协助的方式。在一项量身定制的三轨道研究中，即使对于大量的空穴掺杂，以前的平面Ni轨道的半填充状态仍具有惊人的鲁棒性$\delta$。相互作用的费米表面的重建指定了实验相图中的超导区域。此外，它们为最新的霍尔测量以及大型实验中令人震惊的弱绝缘行为提供了线索$\delta$。最后，预计在电子和空穴掺杂之间存在强烈的不对称性，在前一种情况下将恢复Ni单轨道特征。与铜酸盐不同，超导在${钕}_{\mathrm{1个}-X}{r}_X{\mathrm{氧化镍}}_2$ 是独特的多轨道类型，建立在几乎本地化的基础上 $你\text{-}{d}_{X^2-{ÿ}^2}$ 和巡回 $你\text{-}{d}_{{ž}^2}$。