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Correlation-temperature phase diagram of prototypical infinite layer rare earth nickelates

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arxiv 2207.10527 v1 pith:BBPYZ3YI submitted 2022-07-21 cond-mat.str-el cond-mat.mtrl-sci

Correlation-temperature phase diagram of prototypical infinite layer rare earth nickelates

classification cond-mat.str-el cond-mat.mtrl-sci
keywords phaseantiferromagneticdiagraminfinitelayerlow-energymomentsni-d
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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The discovery of superconductivity in hole-doped infinite layer nickelates, RNiO2 (R = Nd, Pr, La) has garnered sustained interest in the field. A definitive picture of low-energy many-body states has not yet emerged. We provide new insights into the low-energy physics, based on our embedded dynamical mean-field theory calculations, and propose a correlation (U)-temperature (T) phase diagram. The key features are a low-T Fermi liquid (FL) phase, a high-T Curie-Weiss regime, and an antiferromagnetic phase in a narrow U-T region. We associate the onset of the FL phase with partial screening of Ni-d moments; however, full screening occurs at lower temperatures. This may be related to insufficiency of conduction electrons to effectively screen the Ni-d moments, suggestive of Nozieres Exhaustion Principle. Our results suggest that RNiO2 are in the paramagnetic state, close to an antiferromagnetic dome, making magnetic fluctuations feasible. This may be consequential for superconductivity.

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