论文标题
Hund的金属物理：从Srnio $ _2 $到NDNIO $ _2 $
Hund's metal physics: from SrNiO$_2$ to NdNiO$_2$
论文作者
论文摘要
我们研究最近发现的无限层镍超导体的正常电子结构，ND $ _ {1-x} $ sr $ _x $ nio $ _2 $。使用srnio $ _2 $作为参考，我们发现nd $ _ {1-x} $ sr $ _x $ _x $ nio $ _2 $是一种具有特征性的hund金属行为的多轨电子系统，例如金属性，例如金属性，高型型配置的重要性，高型构型的重要性，趋势在摩根差异上，均对玛格尼的态度均在摩根式的范围中，这是曼尼斯的阶段，这是曼尼斯的统治。此外，我们的DFT+DMFT通过精确的双重计数计划计算表明，尽管从Srnio $ _2 $到Lanio $ _2 $掺杂了大量的电荷载体，但由于与占用的氧气量下降的杂交减少，NI-$ 3D $总占用率几乎没有变化，而杂种又增加了疗程，并增加了综合型LA-5 $ 5 $ 5 $ 5 $ 5 $ 5 $ 5 $ 5 $ 5 $ d。我们的结果与现有的共振非弹性X射线散射测量值非常吻合，并为了解ND $ _ {1-x} $ sr $ _x $ _x $ nio $ _2 $的配对机制铺平了道路。
We study the normal state electronic structure of the recently discovered infinite-layer nickelate superconductor, Nd$_{1-x}$Sr$_x$NiO$_2$. Using SrNiO$_2$ as a reference, we find that Nd$_{1-x}$Sr$_x$NiO$_2$ is a multi-orbital electronic system with characteristic Hund's metal behaviors, such as metallicity, the importance of high-spin configurations, tendency towards orbital differentiation, and the absence of magnetism in regimes which are ordered according to static mean-field theories. In addition, our DFT+DMFT calculations with exact double counting scheme show that despite large charge carrier doping from SrNiO$_2$ to LaNiO$_2$, the Ni-$3d$ total occupancy is barely changed due to the decreased hybridization with the occupied oxygen-2$p$ states, and increased hybridization with the unoccupied La-5$d$ states. Our results are in good agreement with the existing resonant inelastic x-ray scattering measurements and pave the way to understand the pairing mechanism of Nd$_{1-x}$Sr$_x$NiO$_2$.
