论文标题
评论“ CU-3D多重结构在高TC铜质模型中的相关性””
Comment on "Relevance of Cu-3d multiplet structure in models of high Tc cuprates''
论文作者
论文摘要
在最近的一项工作中[M. Jiang，M。Moeller，M。Berciu和G. A. Sawatzky，物理。 B \ textbf {101}，035151（2020）]，作者在O-2P谱带中求解了具有CU杂质的模型，作为近似掺杂库层的局部电子结构的近似值。他们的结论之一是，地面州仅具有$ \ sim 50 $ \％的重叠，与张瑞斯单线（ZRS）重叠。该主张基于在不同表示形式中的ZRS的定义，在这种表示中，CU位点的电荷波动已通过规范变换消除。基于多型模型的已知低能减少程序的正确解释，包括3D $^8 $和3D $^{10} $ CU的配置，表明此重叠接近94 \％。
In a recent work [M. Jiang, M. Moeller, M. Berciu, and G. A. Sawatzky, Phys. Rev. B \textbf{101}, 035151 (2020)], the authors solved a model with a Cu impurity in an O-2p band as an approximation to the local electronic structure of a hole doped cuprate. One of their conclusions is that the ground-state has only $\sim 50$ \% overlap with a Zhang-Rice singlet (ZRS). This claim is based on the definition of the ZRS in a different representation, in which the charge fluctuations at the Cu site have been eliminated by a canonical transformation. The correct interpretation of the results, based on known low-energy reduction procedures for a multiband model including 3d$^8$ and 3d$^{10}$ configurations of Cu, indicates that this overlap is near 94 \%.
