Correlated electronic structure of a quintuple-layer nickelate
Correlated electronic structure of a quintuple-layer nickelate
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DOI：
10.1103/physrevb.105.085118
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发表时间：
2021-11
影响因子：
3.7
通讯作者：
H. LaBollita;A. Botana
中科院分区：
文献类型：
--
作者：
H. LaBollita;A. Botana
本文采用比较密度泛函理论和动力学平均场理论（DFT+DMFT）研究了两种已知的稀土层状镍酸盐超导体：空穴掺杂RNiO_2（n = ∞）和R_6Ni_5O_（12）（n = 5）。在相同的标称载流子浓度下，这两种材料表现出几乎相同的电子结构和多体相关效应：质量增强，自能和职业。然而，五层镍酸盐的费米学比其无限层对应物更像二维，使得这种新的超导五层镍酸盐更像铜，而不需要化学掺杂。
We present a comparative density-functional theory plus dynamical mean-field theory (DFT+DMFT) study of the two known superconducting members of the rare-earth (R) layered nickelate family: hole-doped RNiO2 (n = ∞) and R6Ni5O12 (n = 5). At the same nominal carrier concentration, these two materials exhibit nearly identical electronic structures and many-body correlations effects: mass enhancements, self-energies, and occupations. However, the fermiology of the quintuple-layer nickelate is more two-dimensional-like than its infinite-layer counterpart making this new superconducting quintuple-layer nickelate more cuprate-like without the need for chemical doping.