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.

11 pages, 11 figures

References in corpus (31)

Dynamical Mean-Field Theory within an Augmented Plane-Wave Framework: Assessing Electronic Correlations in the Iron Pnictide LaFeAsO
Superconducting Dome in Nd $_{1 - x}$ Sr $_{x}$ NiO $_{2}$ Infinite Layer Films
Superconductivity in a quintuple-layer square-planar nickelate
A superconducting praseodymium nickelate with infinite layer structure
Nickelate superconductivity without rare-earth magnetism: (La,Sr)NiO $_{2}$
The coherence-incoherence crossover and the mass-renormalization puzzles in Sr2RuO4
Self-doped Mott insulator for parent compounds of nickelate superconductors
Late transition-metal oxides with infinite-layer structure: Nickelates versus cuprates
Nickelate superconductors -- a renaissance of the one-band Hubbard model
Doping evolution of the Mott-Hubbard landscape in infinite-layer nickelates
Two superconducting components with different symmetries in Nd1-xSrxNiO2 films
Aspects of the Synthesis of Thin Film Superconducting Infinite-Layer Nickelates
Nickelate superconductors $- -$ Multiorbital nature and spin freezing
Synthesis and characterization of bulk Nd1-xSrxNiO2 and Nd1-xSrxNiO3
Role of $4 f$ states in infinite-layer NdNiO $_{2}$
Electronic structure of rare-earth infinite-layer ReNiO2 (Re=La, Nd)
Hund's metal physics: from SrNiO $_{2}$ to NdNiO $_{2}$
Two-band model for magnetism and superconductivity in nickelates
Orbital and Spin Character of Doped Carriers in Infinite-Layer Nickelates
Lifshitz transition and frustration of magnetic moments in infinite-layer NdNiO $_{2}$ upon hole-doping
Multiorbital processes rule the Nd $_{1 - x}$ Sr $_{x}$ NiO $_{2}$ normal state
Optical properties of the infinite-layer La $_{1 - x}$ Sr $_{x}$ NiO $_{2}$ and hidden Hund's physics
Fluctuation-frustrated flat band instabilities in NdNiO2
Electronic structure and magnetism in infinite-layer nickelates RNiO $_{2}$ (R= La-Lu)
NMR Evidence of Antiferromagnetic Spin Fluctuations in Nd $_{0.85}$ Sr $_{0.15}$ NiO $_{2}$
Comparative Many-Body Study of Pr $_{4}$ Ni $_{3}$ O $_{8}$ and NdNiO $_{2}$
Superconductivity in Infinite-layer Nickelates : Role of Non-zero f-ness
Dependence of DFT+DMFT Results on the Construction of the Correlated Orbitals
Effects of Sr-doping on the electronic and spin-state properties of infinite-layer nickelates
Electronic structure and magnetic properties of higher-order layered nickelates: La $_{n + 1}$ Ni $_{n}$ O $_{2 n + 2}$ ( $n = 4 - 6$ )
Hall coefficient signals orbital differentiation in the Hund's metal Sr $_{2}$ RuO $_{4}$

Cited by in corpus (11)

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