Superconductivity and Antiferromagnetism in NdNiO${}_2$ and CaCuO${}_2$: A Cluster DMFT Study

Abstract

We perform a comparative $2\times 2$ real space cluster DMFT study on minimal models for NdNiO${}_2$ and CaCuO${}_2$ obtained from downfolding DFT states, using a Nambu formalism that allows for both superconducting and antiferromagnetic order. We produce a phase diagram in temperature and doping. We find that for the nickelate, like the cuprate, the stoichiometric compound is antiferromagnetic. We find superconductivity in a doping range bounded, with a small coexistence region, by the onset of antiferromagnetism at low doping and with transition temperature becoming immeasurably small at high doping. Superconductivity emerges at around the same hole doping for both compounds, but requires a larger deviation from half filling for the nickelate. Both antiferromagnetic and superconducting order lead to a partial gapping of the $d_{x^2-y^2}$ Fermi surface sheet. Our similar results for the cuprate and nickelate suggest that nickelate superconductivity is cupratelike. We compare our results to the experimental phase diagram.

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• Superconducting Instabilities in Strongly-Correlated Infinite-Layer Nickelates
• Optimizing superconductivity: from cuprates via nickelates to palladates
• Limits to the strain engineering of layered square-planar nickelate thin films
• An electronic origin of charge order in infinite-layer nickelates
• Unconventional superconductivity without doping: infinite-layer nickelates under pressure
• Quantifying interaction mechanism in infinite layer nickelate superconductors
• Charge Density Wave Ordering in NdNiO${}_2$: Effects of Multiorbital Nonlocal Correlations
• Antiferromagnetic fluctuations and a dominant $d_{xy}$-wave pairing symmetry in nickelate-based superconductors
• Possible structural quantum criticality tuned by rare-earth ion substitution in infinite-layer nickelates
• Low-energy plasmon excitations in infinite-layer nickelates
• Conductivity of infinite-layer NdNiO${}_2$ as a probe of spectator bands
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• Influence of $f$ Electrons on the Electronic Band Structure of Rare-Earth Nickelates
• $\text{Ab initio}$ Materials Design of Superconductivity in $d^9$ Nickelates
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• Matrix-product-state-based band-Lanczos solver for quantum cluster approaches
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• Intrinsic coherence length anisotropy in nickelate, and some pnictide, and chalcogenide superconductors
• OnionVQE Optimization Strategy for Ground State Preparation on NISQ Devices