Correlated electronic structure of a quintuple-layer nickelate

Harrison LaBollita; Antia S. Botana

doi:10.1103/physrevb.105.085118

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arXiv · 2111.14739

Correlated electronic structure of a quintuple-layer nickelate

Harrison LaBollita·Antia S. Botana

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Abstract

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 RNiO$_{2}$ ($n=\infty$) and R$_{6}$Ni$_{5}$O$_{12}$ ($n=5$). 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.

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Harrison LaBollita, Antia S. Botana. 2021-11-29. Correlated electronic structure of a quintuple-layer nickelate. https://doi.org/10.1103/physrevb.105.085118

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