Doping-dependent character and possible magnetic ordering of NdNiO2

Frank Lechermann
Phys. Rev. Materials 5, 044803 – Published 27 April 2021

Abstract

The novel nickelate superconductors of infinite-layer type feature challenging electronic pecularities in the normal-state phase diagram with doping. Distinct many-body behavior and different dispersion regimes of the entangled {Nidz2, Ni-dx2y2} orbital sector give rise to highly rich physics, which is here studied for the case of the NdNiO2 system. An analysis based on advanced realistic dynamical mean-field theory unveils that the superconducting hole-doped region is the meeting place of a (self-)doped Mott insulator from the underdoped side, and a bad Hund metal from the overdoped side. Fermi-level crossing of the Ni-dz2 flat-band ties both regimes together to form a singular arena for unconventional superconductivity. We furthermore shed light on the intriguing problem of elusive magnetism in infinite-layer nickelates. Antiferromagnetic (AFM) order with small Ni moments is shown to be a vital competitor at low temperature. At stoichiometry, C-AFM order with ferromagnetic spin-alignment along the c-axis benefits from a conceivable coexistence with Kondo(-lattice) screening.

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  • Received 20 December 2020
  • Revised 18 March 2021
  • Accepted 13 April 2021

DOI:https://doi.org/10.1103/PhysRevMaterials.5.044803

©2021 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Frank Lechermann

  • European XFEL, Holzkoppel 4, 22869 Schenefeld, Germany and Center for Computational Quantum Physics, The Flatiron Institute, 162 5th Avenue, New York, New York 10010, USA

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Issue

Vol. 5, Iss. 4 — April 2021

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