论文标题
多纤维流程规则nd $ _ {1-x} $ sr $ _x $ nio $ _2 $正常状态
Multiorbital processes rule the Nd$_{1-x}$Sr$_x$NiO$_2$ normal state
论文作者
论文摘要
揭示了在化学计量和兴奋剂时，无限层北极镍盐的主要ni-矿物质性质。我们调查了较低温度下NDNIO $ _2 $的相关电子结构，并表明第一原理多体理论可能是Kondo（-lattice）的特征。然而，这些不仅基于本地化的ni- $ d_ {x^2-y^2} $和一个以nd为主导的自我兴奋带，而且还基于ni- $ d_ {z^2} $的参与，以愚蠢的方式建立。在一项量身定制的三轨研究中，即使对于以$δ$掺杂的大孔，前面的ni轨道的半充满状态仍然令人惊讶。相互作用的费米表面的重建指定实验相图内的超导区域。他们此外还为最近的霍尔测量值以及在较大的实验$δ$下的惊人弱势行为提供了线索。最后，可以预测电子和孔掺杂之间的强烈不对称性，在前一种情况下具有Ni单轨道特征的复兴。 ND $ _ {1-x} $ sr $ _x $ nio $ _2 $中的超导能力与独特的多纤维库中的一个不同，它以几乎局部的ni- $ d_ {x^2-y^2} $和touriner ni- $ $ d_ {z^2} $上的几乎局部化。
The predominant Ni-multiorbital nature of infinite-layer neodynium nickelate at stoichiometry and with doping is revealed. We investigate the correlated electronic structure of NdNiO$_2$ at lower temperatures and show that first-principles many-body theory may account for Kondo(-lattice) features. Yet those are not only based on localized Ni-$d_{x^2-y^2}$ and a Nd-dominated self-doping band, but heavily builds on the participation of Ni-$d_{z^2}$ in a Hund-assisted manner. In a tailored three-orbital study, the half-filled regime of the former inplane Ni orbital remains surprisingly robust even for substantial hole doping $δ$. Reconstructions of the interacting Fermi surface designate the superconducting region within the experimental phase diagram. They furthermore provide clues to recent Hall measurements as well as to the astounding weakly-insulating behavior at larger experimental $δ$. Finally, a strong asymmetry between electron and hole doping, with a revival of Ni single-orbital features in the former case, is predicted. Superconductivity in Nd$_{1-x}$Sr$_x$NiO$_2$ is unlike the one in cuprates of distinct multiorbital kind, building up on nearly localized Ni-$d_{x^2-y^2}$ and itinerant Ni-$d_{z^2}$.
