Multiorbital processes rule the Nd${}_{1-x}$Sr${}_x$NiO${}_2$ normal state

Abstract

The predominant Ni-multiorbital nature of infinite-layer neodynium nickelate at stoichiometry and with doping is revealed. We investigate the correlated electronic structure of NdNiO${}_2$ at lower temperatures and show that first-principles many-body theory may account for Kondo(-lattice) features. Yet those are not only based on localized Ni-$d_{x^2-y^2}$ and a Nd-dominated self-doping band, but heavily builds on the participation of Ni-$d_{z^2}$ in a Hund-assisted manner. In a tailored three-orbital study, the half-filled regime of the former inplane Ni orbital remains surprisingly robust even for substantial hole doping $\delta$. Reconstructions of the interacting Fermi surface designate the superconducting region within the experimental phase diagram. They furthermore provide clues to recent Hall measurements as well as to the astounding weakly-insulating behavior at larger experimental $\delta$. Finally, a strong asymmetry between electron and hole doping, with a revival of Ni single-orbital features in the former case, is predicted. Superconductivity in Nd${}_{1-x}$Sr${}_x$NiO${}_2$ is unlike the one in cuprates of distinct multiorbital kind, building up on nearly localized Ni-$d_{x^2-y^2}$ and itinerant Ni-$d_{z^2}$.

14 pages, 14 figures, 2 tables

References in corpus (13)

• Orbital order and possible superconductivity in LaNiO3/LaMO3 superlattices
• Plane-wave based electronic structure calculations for correlated materials using dynamical mean-field theory and projected local orbitals
• Self-doped Mott insulator for parent compounds of nickelate superconductors
• Late transition-metal oxides with infinite-layer structure: Nickelates versus cuprates
• Rotationally-invariant slave-boson formalism and momentum dependence of the quasiparticle weight
• Nickelate superconductors $--$ Multiorbital nature and spin freezing
• Role of $4f$ states in infinite-layer NdNiO${}_2$
• Electronic structure of rare-earth infinite-layer ReNiO2 (Re=La, Nd)
• Revisiting the valence-band and core-level photoemission spectra of NiO
• Two-band model for magnetism and superconductivity in nickelates
• Approaching finite-temperature phase diagrams of strongly correlated materials: a case study for V2O3
• Hole superconductivity in infinite-layer nickelates
• Rotationally-invariant slave-bosons for Strongly Correlated Superconductors

Cited by in corpus (17)

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• Dynamical Mean Field Studies of Infinite Layer Nickelates: Physics Results and Methodological Implications
• Electronic structure and magnetic properties of higher-order layered nickelates: La${}_{n+1}$Ni${}_n$O${}_{2n+2}$ ($n=4-6$)
• Superconductivity and Antiferromagnetism in NdNiO${}_2$ and CaCuO${}_2$: A Cluster DMFT Study
• Negligible oxygen vacancies, low critical current density, electric-field modulation, in-plane anisotropic and high-field transport of a superconducting Nd0.8Sr0.2NiO2/SrTiO3 heterostructure
• Electronic structure of higher-order Ruddlesden-Popper nickelates
• Interplay between Zhang-Rice singlets and high-spin states in a model for doped NiO${}_2$ planes
• Emergent flat-band physics in $d^{9-\delta }$ multilayer nickelates
• Prediction of orbital selective Mott phases and block magnetic states in the quasi-one-dimensional iron chain Ce${}_2$O${}_2$FeSe${}_2$ under hole and electron doping
• Spin-density, charge- and bond-disproportionation wave instability in hole-doped infinite-layer $R$NiO${}_2$
• Stabilization of singlet hole-doped state in infinite-layer nickelate superconductors
• Two-orbital model for possible superconductivity pairing mechanism in nickelates
• Conductivity of infinite-layer NdNiO${}_2$ as a probe of spectator bands
• Influence of $f$ Electrons on the Electronic Band Structure of Rare-Earth Nickelates
• Electronic Correlations and Absence of Superconductivity in the Collapsed Phase of LaFe${}_2$As${}_2$
• Intrinsic coherence length anisotropy in nickelate, and some pnictide, and chalcogenide superconductors
• Quasiparticle approach to the transport in infinite-layer nickelates