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arXiv · 2207.10527

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

Gheorghe Lucian Pascut·Lucian Cosovanu·Kristjan Haule·Khandker F. Quader
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Abstract

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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Gheorghe Lucian Pascut, Lucian Cosovanu, Kristjan Haule, Khandker F. Quader. 2022-07-21. Correlation-temperature phase diagram of prototypical infinite layer rare earth nickelates. https://doi.org/10.1038/s42005-023-01163-7

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