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Ac$_3$Ni$_2$O$_7$ and La$_2$$Ae$Ni$_2$O$_6$F ($Ae$ = Sr, Ba): Benchmark Materials for Bilayer Nickelate Superconductivity

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arxiv 2403.11713 v1 pith:YF3LL4SB submitted 2024-03-18 cond-mat.supr-con

Siqi Wu , Zihan Yang , Xin Ma , Jianhui Dai , Ming Shi , Hui-Qiu Yuan , Hai-Qing Lin , Chao Cao This is my paper · ORCID
classification cond-mat.supr-con
keywords banibilayersrninickelatepressuresuperconductivityambientbenchmark
verification ladder T0 review T1 audit T2 compute T3 formal
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abstract

We theoretically propose Ac$_3$Ni$_2$O$_7$, La$_2$BaNi$_2$O$_6$F, and La$_2$SrNi$_2$O$_6$F compounds to be benchmark materials for bilayer nickelate superconductivity. The stable phase of Ac$_3$Ni$_2$O$_7$ and La$_2$BaNi$_2$O$_6$F are found to be $I4/mmm$ without the lattice distortion caused by octahedra rotation at ambient pressure, where as the lattice distortion in La$_2$SrNi$_2$O$_6$F can be suppressed with relatively small external pressure of 4 GPa. The magnetism, electronic structure and spin susceptibilities of Ac$_3$Ni$_2$O$_7$ are extremely close to those of La$_3$Ni$_2$O$_7$ at 30 GPa. The ground state of La$_2$BaNi$_2$O$_6$F and La$_2$SrNi$_2$O$_6$F are antiferromagnetically coupled checkerboard bilayer with sizable magnetic moment on Ni. In addition, the inter-layer coupling $J_{\perp}$ between Ni-bilayers in La$_2$BaNi$_2$O$_6$F or La$_2$SrNi$_2$O$_6$F is only $\sim$ 1/10 of that in Ac$_3$Ni$_2$O$_7$ or La$_3$Ni$_2$O$_7$ at 30 GPa. We argue that these compounds may serve as superconducting candidates at ambient pressure and can be employed to testify theoretical proposals for bilayer nickelate superconductivity.

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Cited by 3 Pith papers

Reviewed papers in the Pith corpus that reference this work. Sorted by Pith novelty score. Full citation record

  1. Possible Enhancement of Superconductivity in Ambient-Pressure La$_3$Ni$_2$O$_7$ Thin Film

    cond-mat.supr-con 2026-03 conditional novelty 6.0 of 10

    A δ pocket of dz2 character near Γ enhances s± pairing in a model of La3Ni2O7 films by nesting with the γ pocket, raising the Eliashberg eigenvalue λ.

  2. Theoretical study on ambient pressure superconductivity in La$_3$Ni$_2$O$_7$ thin films : structural analysis, model construction, and robustness of $s\pm$-wave pairing

    cond-mat.supr-con 2025-06 unverdicted novelty 6.0 of 10

    s±-wave pairing remains robust in La3Ni2O7 thin-film models under FLEX, but reduced Tc is reproduced only when using the experimental structure's small interlayer hopping.

  3. Machine learning-accelerated search of superconductors in B-C-N based compounds and R3Ni2O7-type nickelates

    cond-mat.supr-con 2025-09 conditional novelty 5.0 of 10

    A combined machine-learning and DFT screening predicts 12 B-C-N compounds with TC >= 10 K and identifies Tb3Ni2O7 and Ac3Ni2O7 as potential high-TC nickelate superconductors, all pending experimental confirmation.

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