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Electron doped layered nickelates: Spanning the phase diagram of the cuprates

Antia S. Botana, Victor Pardo, and Michael R. Norman
Phys. Rev. Materials 1, 021801(R) – Published 20 July 2017

Abstract

Pr4Ni3O8 is an overdoped analog of hole-doped layered cuprates. Here we show via ab initio calculations that Ce-doped Pr4Ni3O8 (Pr3CeNi3O8) has the same electronic structure as the antiferromagnetic insulating phase of parent cuprates. We find that substantial Ce doping should be thermodynamically stable and that other 4+ cations would yield a similar antiferromagnetic insulating state, arguing this configuration is robust for layered nickelates of low-enough valence. The analogies with cuprates at different d fillings suggest that intermediate Ce-doping concentrations near 1/8 should be an appropriate place to search for superconductivity in these low-valence Ni oxides.

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  • Received 3 May 2017
  • Revised 15 June 2017

DOI:https://doi.org/10.1103/PhysRevMaterials.1.021801

©2017 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Antia S. Botana1, Victor Pardo2,3, and Michael R. Norman1,*

  • 1Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA
  • 2Departamento de Fisica Aplicada, Universidade de Santiago de Compostela, E-15782 Santiago de Compostela, Spain
  • 3Instituto de Investigacions Tecnoloxicas, Universidade de Santiago de Compostela, E-15782 Santiago de Compostela, Spain

  • *norman@anl.gov

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Vol. 1, Iss. 2 — July 2017

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