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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.

Authors:
; ;
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1372656
DOE Contract Number:
AC02-06CH11357
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review Materials; Journal Volume: 1; Journal Issue: 2
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Botana, Antia S., Pardo, Victor, and Norman, Michael R. Electron doped layered nickelates: Spanning the phase diagram of the cuprates. United States: N. p., 2017. Web. doi:10.1103/PhysRevMaterials.1.021801.
Botana, Antia S., Pardo, Victor, & Norman, Michael R. Electron doped layered nickelates: Spanning the phase diagram of the cuprates. United States. doi:10.1103/PhysRevMaterials.1.021801.
Botana, Antia S., Pardo, Victor, and Norman, Michael R. Sat . "Electron doped layered nickelates: Spanning the phase diagram of the cuprates". United States. doi:10.1103/PhysRevMaterials.1.021801.
@article{osti_1372656,
title = {Electron doped layered nickelates: Spanning the phase diagram of the cuprates},
author = {Botana, Antia S. and Pardo, Victor and Norman, Michael R.},
abstractNote = {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.},
doi = {10.1103/PhysRevMaterials.1.021801},
journal = {Physical Review Materials},
number = 2,
volume = 1,
place = {United States},
year = {Sat Jul 01 00:00:00 EDT 2017},
month = {Sat Jul 01 00:00:00 EDT 2017}
}