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arXiv · 1705.01632

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

Antia S. Botana·Victor Pardo·Michael R. Norman
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Abstract

Pr$_4$Ni$_3$O$_8$ is an overdoped analog of hole-doped layered cuprates. Here we show via ab initio calculations that Ce-doped Pr$_4$Ni$_3$O$_8$ (Pr$_3$CeNi$_3$O$_8$) 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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Antia S. Botana, Victor Pardo, Michael R. Norman. 2017-05-03. Electron doped layered nickelates: spanning the phase diagram of the cuprates. https://doi.org/10.1103/physrevmaterials.1.021801

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