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.

arXiv comment34 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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• Correlated electronic structure, orbital-selective behavior, and magnetic correlations in double-layer La${}_3$Ni${}_2$O${}_7$ under pressure
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• Superconducting Instabilities in Strongly-Correlated Infinite-Layer Nickelates
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• The Wannier Function Software Ecosystem for Materials Simulations
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• Emergent flat-band physics in $d^{9-\delta }$ multilayer nickelates
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• Quantifying interaction mechanism in infinite layer nickelate superconductors
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• Low-energy perspective on two-orbital Hund metals and the case of LaNiO2
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• Inversion symmetry breaking in bilayer multi-orbital Hubbard model with impurity approximation
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