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

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

Research output: Contribution to journalArticle

3 Citations (Scopus)

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

Fingerprint

cuprates
Phase diagrams
Doping (additives)
phase diagrams
Electrons
Superconductivity
Oxides
Electronic structure
valence
Cations
electrons
Positive ions
superconductivity
analogs
electronic structure
cations
oxides
configurations

ASJC Scopus subject areas

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

Cite this

Electron doped layered nickelates : Spanning the phase diagram of the cuprates. / Botana, Antia S.; Pardo, Victor; Norman, Michael R.

In: Physical Review Materials, Vol. 1, No. 2, 021801, 20.07.2017.

Research output: Contribution to journalArticle

@article{193ddb9a67ec457ea95d5206e11d2a7b,
title = "Electron doped layered nickelates: Spanning the phase diagram of the cuprates",
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.",
author = "Botana, {Antia S.} and Victor Pardo and Norman, {Michael R.}",
year = "2017",
month = "7",
day = "20",
doi = "10.1103/PhysRevMaterials.1.021801",
language = "English (US)",
volume = "1",
journal = "Physical Review Materials",
issn = "2475-9953",
publisher = "American Physical Society",
number = "2",

}

TY - JOUR

T1 - Electron doped layered nickelates

T2 - Spanning the phase diagram of the cuprates

AU - Botana, Antia S.

AU - Pardo, Victor

AU - Norman, Michael R.

PY - 2017/7/20

Y1 - 2017/7/20

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=85044004525&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85044004525&partnerID=8YFLogxK

U2 - 10.1103/PhysRevMaterials.1.021801

DO - 10.1103/PhysRevMaterials.1.021801

M3 - Article

AN - SCOPUS:85044004525

VL - 1

JO - Physical Review Materials

JF - Physical Review Materials

SN - 2475-9953

IS - 2

M1 - 021801

ER -