超导电性
凝聚态物理
非阻塞I/O
兴奋剂
电子结构
密度泛函理论
稀土
图层(电子)
领域(数学)
物理
平均场理论
材料科学
化学
纳米技术
量子力学
数学
纯数学
生物化学
催化作用
冶金
作者
Harrison LaBollita,Antía S. Botana
出处
期刊:Physical review
[American Physical Society]
日期:2022-02-09
卷期号:105 (8)
被引量:15
标识
DOI:10.1103/physrevb.105.085118
摘要
We present a comparative density-functional theory plus dynamical mean-field theory study of the two known superconducting members of the rare-earth $(R)$ layered nickelate family: hole-doped ${R\text{NiO}}_{2}$ $(n=\ensuremath{\infty})$ and ${R}_{6}{\mathrm{Ni}}_{5}{\mathrm{O}}_{12}$ $(n=5)$. At the same nominal carrier concentration, these two materials exhibit nearly identical electronic structures and many-body correlation 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 cupratelike without the need for chemical doping.
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