Export citation

Export citation

Choose format for download:

Download Citation

    Neodymium ions as charge reservoir in NdNiO2: From lack of long-range order to electron-doping-induced antiferromagnetism

    Adam Kłosiński1,2,*, Roman Drachynskyi3,4, Krzysztof Wohlfeld1, and Wojciech Brzezicki3

    • 1Institute of Theoretical Physics, Faculty of Physics, University of Warsaw, Pasteura 5, PL-02093 Warsaw, Poland
    • 2International Research Centre MagTop, Institute of Physics PAS, Aleja Lotników 32/46, PL-02668 Warsaw, Poland
    • 3Institute of Theoretical Physics, Jagiellonian University, Łojasiewicza 11, PL-30348 Kraków, Poland
    • 4Doctoral School of Exact and Natural Sciences, Jagiellonian University, Łojasiewicza 11, PL-30348 Kraków, Poland

    • *Contact author: adam.klosinski@fuw.edu.pl

    Phys. Rev. B 113, 085148 – Published 25 February, 2026

    DOI: https://doi.org/10.1103/lfzf-jbz4

    Abstract

    We study magnetism in the electron-doped infinite-layer nickelate NdNiO2. 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. By fixing all free parameters to realistic values we find that undoped NdNiO2 lies right outside the antiferromagnetic (AFM) region of the phase diagram. This is consistent with experiments, which find no long-range order in the ground state of NdNiO2, yet see short-range AFM correlations and broad magnetic excitations. We also find that the self-doping effect leads to a dramatic increase in the stability of the AFM solution upon electron doping—a behavior that is strikingly different from what is, for instance, observed in the cuprates. Finally, for smaller charge transfer energies than suggested for NdNiO2, the self-doping effect may be quite strong and stabilize various stripe configurations already on the mean-field level.

    Physics Subject Headings (PhySH)

    Authorization Required

    We need you to provide your credentials before accessing this content.

    References (Subscription Required)

    Outline

    Information

    Sign In to Your Journals Account

    Filter

    Filter

    Article Lookup

    Enter a citation