Correlated electronic structure of a quintuple-layer nickelate

Harrison LaBollita; Antia S. Botana

doi:10.1103/PhysRevB.105.085118

paper

Correlated electronic structure of a quintuple-layer nickelate

arXiv:2111.14739 · doi:10.1103/PhysRevB.105.085118

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.

arXiv comment11 pages, 11 figures

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Correlations turn electronic structure of finite-layer nickelates upside down
Microscopic Theory of Superconducting Phase Diagram in Infinite-Layer Nickelates
Topotactic-hydrogen forms chains in $A B$ O $_{2}$ nickelate superconductors
Emergent flat-band physics in $d^{9 - δ}$ multilayer nickelates
Many-body electronic structure of $d^{9 - δ}$ layered nickelates
Signatures of topotactic hydrogen in nickelate superconductors
Electronic correlations, layer distinction, and electron doping in the alternating single-layer trilayer La $_{3}$ Ni $_{2}$ O $_{7}$ polymorph
Unusual Hole-doping-dependent Electronic Instability and Electron-Phonon Coupling in Infinite-layer Nickelates
Magnetic excitations in Nd $_{n + 1}$ Ni $_{n}$ O $_{3 n + 1}$ Ruddlesden-Popper nickelates observed via resonant inelastic x-ray scattering
Topotactical Hydrogen Induced Single-Band $d$ -wave Superconductivity in La $_{2}$ NiO $_{4}$
Superconducting phase diagram of multi-layer square-planar nickelates