Hund's metal physics: from SrNiO${}_2$ to NdNiO${}_2$

Abstract

We study the normal state electronic structure of the recently discovered infinite-layer nickelate superconductor, Nd${}_{1-x}$Sr${}_x$NiO${}_2$. Using SrNiO${}_2$ as a reference, we find that Nd${}_{1-x}$Sr${}_x$NiO${}_2$ is a multi-orbital electronic system with characteristic Hund's metal behaviors, such as metallicity, the importance of high-spin configurations, tendency towards orbital differentiation, and the absence of magnetism in regimes which are ordered according to static mean-field theories. In addition, our DFT+DMFT calculations with exact double counting scheme show that despite large charge carrier doping from SrNiO${}_2$ to LaNiO${}_2$, the Ni-$3d$ total occupancy is barely changed due to the decreased hybridization with the occupied oxygen-2$p$ states, and increased hybridization with the unoccupied La-5$d$ states. Our results are in good agreement with the existing resonant inelastic x-ray scattering measurements and pave the way to understand the pairing mechanism of Nd${}_{1-x}$Sr${}_x$NiO${}_2$.

8 pages of main text plus 2 pages of supplemental material and 6 figures

References in corpus (32)

• Continuous-time Monte Carlo methods for quantum impurity models
• Strong electronic correlations from Hund's coupling
• Magnetic order in BaFe2As2, the parent compound of the FeAs based superconductors in a new structural family
• To What Extent Iron-Pnictide New Superconductors Have Been Clarified: A Progress Report
• Coherence-incoherence crossover in the normal state of iron-oxypnictides and importance of the Hund's rule coupling
• Superconducting Dome in Nd${}_{1-x}$Sr${}_x$NiO${}_2$ Infinite Layer Films
• Phase diagram and superconducting dome of infinite-layer $\mathrm{N}{\mathrm{d}}_{1-\mathrm{x}}\mathrm{S}{\mathrm{r}}_{\mathrm{x}}\mathrm{Ni}{\mathrm{O}}_2$ thin films
• A superconducting praseodymium nickelate with infinite layer structure
• Spin freezing transition and non-Fermi-liquid self-energy in a 3-orbital model
• 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
• A possible ground state and its electronic structure of a mother material (LaOFeAs) of new superconductors
• Strong electronic correlations in superconducting organic charge transfer salts
• Synthesis and characterization of bulk Nd1-xSrxNiO2 and Nd1-xSrxNiO3
• Role of $4f$ states in infinite-layer NdNiO${}_2$
• Electronic structure of rare-earth infinite-layer ReNiO2 (Re=La, Nd)
• Dichotomy between large local and small ordered magnetic moment in Iron-based superconductors
• Two-band model for magnetism and superconductivity in 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
• Bulk magnetic order in a two dimensional Ni1+/Ni2+ (d9/d8) nickelate, isoelectronic with superconducting cuprates
• Materials design of dynamically stable $d^9$ layered nickelates
• Fundamental difference in the electronic reconstruction of infinite-layer vs. perovskite neodymium nickelate films on SrTiO${}_3$(001)
• Normal state of Nd${}_{1-x}$Sr${}_x$NiO${}_2$ from self-consistent $GW$+EDMFT
• Spin stripe order in a square planar trilayer nickelate
• Fluctuation-frustrated flat band instabilities in NdNiO2
• Interaction-induced quantum anomalous Hall phase in (111) bilayer of LaCoO${}_3$

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• $GW$+EDMFT investigation of Pr${}_{1-x}$Sr${}_x$NiO${}_2$ under pressure
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• Absence of mixed valency for Pr in pristine and hole-doped PrNiO${}_2$
• Electronic Correlations and Absence of Superconductivity in the Collapsed Phase of LaFe${}_2$As${}_2$
• Electronic correlations and spin-charge-density stripes in double-layer La${}_3$Ni${}_2$O${}_7$
• Near room-temperature ferromagnetism from double-exchange in the van der Waals material CrGeTe${}_3$: evidence from optical conductivity under pressure
• Correlated electronic structure of high-temperature superconductor Ba${}_2$CuO${}_{3+\delta }$
• Pressure effects on the electronic structure and magnetic properties of infinite-layer nickelates
• Lattice dynamics of the infinite-layer nickelate LaNiO${}_2$
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• Emergence and tunability of Fermi-pocket and electronic instabilities in layered Nickelates
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