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

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

doi:10.1103/PhysRevMaterials.1.021801

paper

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

arXiv:1705.01632 · doi:10.1103/PhysRevMaterials.1.021801

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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