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 language | English (US) |
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Article number | 021801 |
Journal | Physical Review Materials |
Volume | 1 |
Issue number | 2 |
DOIs | |
State | Published - Jul 20 2017 |
Externally published | Yes |
ASJC Scopus subject areas
- General Materials Science
- Physics and Astronomy (miscellaneous)