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Neodymium ions as charge reservoir in NdNiO$_2$: from lack of long range order to electron-doping-induced antiferromagnetism

Kłosiński, Adam et al.
arXiv (All) · Papers
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We study magnetism in the electron-doped infinite-layer nickelate NdNiO$_2$. We perform an unrestricted Hartree-Fock calculation for a tight-binding model which contains both nickel and neodymium orbitals. We reproduce the self-doping effect, which is the escape of charge onto the neodymium bands. B
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