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Stability of in-plane (0,π) stripe antiferromagnetism in tetragonal La2NiO4

Determine whether a stable in-plane (0,π) stripe antiferromagnetic configuration exists in La2NiO4 when modeled in the tetragonal I4/mmm structure using spin-polarized LDA+U calculations, clarifying if such a solution can be obtained within this framework.

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Background

The paper analyzes magnetic tendencies in La2NiO4 and La1.5Ba0.5NiO4 using spin-polarized LDA+U, comparing ferromagnetic (FM), A-type antiferromagnetic (A-AFM), and G-type antiferromagnetic (G-AFM) configurations. While G-AFM is found to be the ground state in La2NiO4 and a complex competition emerges in La1.5Ba0.5NiO4, the authors also probed in-plane (0,π) stripe AFM order.

Despite testing this stripe configuration, the authors report they could not obtain a stable solution within their computational setup. This leaves unresolved whether stripe AFM order can be stabilized in La2NiO4 in the tetragonal I4/mmm structure within the LDA+U framework.

References

In addition, we considered in-plane $(0,\pi)$- stripe AFM order but we were unable to find stable solutions for this configuration.

— Pressure and doping effects on the electronic structure and magnetism of the single-layer nickelate La$_2$NiO$_4$ (2506.23823 - Vaulx et al., 30 Jun 2025) in Magnetism section (main text)