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

Antia S. Botana, Victor Pardo, Michael R. Norman

Research output: Contribution to journalArticle

11 Scopus citations

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.

Original languageEnglish (US)
Article number021801
JournalPhysical Review Materials
Volume1
Issue number2
DOIs
StatePublished - Jul 20 2017
Externally publishedYes

ASJC Scopus subject areas

  • Materials Science(all)
  • Physics and Astronomy (miscellaneous)

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