Dynamical Mean Field Studies of Infinite Layer Nickelates: Physics Results and Methodological Implications

Abstract

This article summarizes recent work on the many-body (beyond density functional theory) electronic structure of layered rare-earth nickelates, both in the context of the materials themselves and in comparison to the high-temperature superconducting (high-$T_c$) layered copper-oxide compounds. It aims to outline the current state of our understanding of layered nickelates and to show how the analysis of these fascinating materials can shed light on fundamental questions in modern electronic structure theory. A prime focus is determining how the interacting physics defined over a wide energy range can be estimated and "downfolded" into a low energy theory that would describe the relevant degrees of freedom on the $\sim 0.5$ eV scale and that could be solved to determine superconducting and spin and charge density wave phase boundaries, temperature-dependent resistivities, and dynamical susceptibilities.

34 pages, 10 figuress and 2 tables. An invited review by Frontiers in Physics as part of a collection on nickelate superconductors

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Cited by in corpus (32)

• Electronic correlations and superconducting instability in La${}_3$Ni${}_2$O${}_7$ under high pressure
• Flat bands promoted by Hund's rule coupling in the candidate double-layer high-temperature superconductor La${}_3$Ni${}_2$O${}_7$
• Correlated electronic structure, orbital-selective behavior, and magnetic correlations in double-layer La${}_3$Ni${}_2$O${}_7$ under pressure
• Charge Transfer and Zhang-Rice Singlet Bands in the Nickelate Superconductor $\mathrm{L}{\mathrm{a}}_3\mathrm{N}{\mathrm{i}}_2{\mathrm{O}}_7$ under Pressure
• Unconventional crystal structure of the high-pressure superconductor La${}_3$Ni${}_2$O${}_7$
• Superconducting Instabilities in Strongly-Correlated Infinite-Layer Nickelates
• Sensitive dependence of pairing symmetry on Ni-$e_g$ crystal field splitting in the nickelate superconductor La${}_3$Ni${}_2$O${}_7$
• Optimizing superconductivity: from cuprates via nickelates to palladates
• Electronic instability, layer selectivity and Fermi arcs in La${}_3$Ni${}_2$O${}_7$
• Electronic structure and magnetic correlations in trilayer nickelate superconductor La${}_4$Ni${}_3$O${}_{10}$ under pressure
• The Wannier Function Software Ecosystem for Materials Simulations
• Magnetic properties and pseudogap formation in infinite-layer nickelates: insights from the single-band Hubbard model
• An electronic origin of charge order in infinite-layer nickelates
• Emergent flat-band physics in $d^{9-\delta }$ multilayer nickelates
• Spin-density, charge- and bond-disproportionation wave instability in hole-doped infinite-layer $R$NiO${}_2$
• Quantifying interaction mechanism in infinite layer nickelate superconductors
• Scanning SQUID study of ferromagnetism and superconductivity in infinite-layer nickelates
• Stabilization of singlet hole-doped state in infinite-layer nickelate superconductors
• Nature of the magnetic coupling in infinite-layer nickelates versus cuprates
• Charge ordering as the driving mechanism for superconductivity in rare-earth nickel oxides
• Low-energy perspective on two-orbital Hund metals and the case of LaNiO2
• Low-energy plasmon excitations in infinite-layer nickelates
• Conductivity of infinite-layer NdNiO${}_2$ as a probe of spectator bands
• Role of electron correlation and disorder on the electronic structure of layered nickelate (La${}_{0.5}$Sr${}_{0.5}$)${}_2$NiO${}_4$
• Inversion symmetry breaking in bilayer multi-orbital Hubbard model with impurity approximation
• Electronic correlations and spin-charge-density stripes in double-layer La${}_3$Ni${}_2$O${}_7$
• Lattice dynamics of the infinite-layer nickelate LaNiO${}_2$
• Constrained Random Phase Approximation: the spectral method
• Real space representation of topological system: twisted bilayer graphene as an example
• Intrinsic coherence length anisotropy in nickelate, and some pnictide, and chalcogenide superconductors
• Quasiparticle approach to the transport in infinite-layer nickelates
• Effect of doping on the electronic structure, orbital-dependent renormalizations, and magnetic correlations in bilayer La${}_3$Ni${}_2$O${}_7$