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Machine-learning-guided discovery of kagome superconductors YRu3B2 and LuRu3B2

  • Rice University
  • Donostia International Physics Center
  • Ruhr University Bochum
  • Princeton University
  • Ikerbasque - Basque Foundation for Science

Research output: Contribution to journalArticleScientificpeer-review

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Abstract

We report the experimental discovery of bulk superconductivity in two kagome lattice compounds, YRu3B2 and LuRu3B2, which were predicted through machine-learning-accelerated high-throughput screening combined with first-principles calculations. These materials crystallize in the hexagonal CeCo3B2-type structure with planar kagome networks formed by Ru atoms. We observe superconducting critical temperatures of Tc=0.81 K for YRu3B2 and Tc=0.95 K for LuRu3B2, confirmed through magnetization, specific heat, and electrical transport measurements. Both compounds exhibit nearly 100% superconducting volume fractions, demonstrating bulk superconductivity. Compared with isostructural LaRu3Si2, YRu3B2 and LuRu3B2 show a more dispersive Ru local dx2−y2 quasiflat band [and thus a reduced density of states (DOS) at EF] together with an overall hardening of the phonon spectrum, both of which lower the electron-phonon coupling (EPC) constant λ. Meanwhile, the dominant real-space EPC between Ru local dx2−y2 states and the low-frequency Ru in-plane local x branch remains nearly unchanged, indicating that the reduction of λ originates from the dx2−y2 DOS reduction and the overall phonon hardening. Superfluid weight calculations show that conventional contributions dominate over quantum geometric effects due to the dispersive nature of bands near the Fermi level. This work demonstrates the effectiveness of integrating machine-learning screening, first-principles theory, and experimental synthesis for accelerating the discovery of new superconducting materials.

Original languageEnglish
Article number023308
Pages (from-to)1-13
Number of pages13
JournalPhysical Review Research
Volume8
Issue number2
DOIs
Publication statusPublished - 1 Apr 2026
MoE publication typeA1 Journal article-refereed

Funding

This work was supported by a collaboration between The Kavli Foundation, Klaus Tschira Stiftung, and Kevin Wells, and by the Jane and Aatos Erkko Foundation, the Keele Foundation, and the Magnus Ehrnrooth Foundation, as part of the SuperC collaboration. B.A.B., M.A.L.M., and P.T. were supported by a grant from the Simons Foundation (SFI-MPS-NFS-00006741-01, B.A.B.; SFI-MPS-NFS-00006741-13, M.A.L.M.; SFI-MPS-NFS-00006741-12, P.T.) in the Simons Collaboration on New Frontiers in Superconductivity. B.A.B. was also supported by the Gordon and Betty Moore Foundation through Grant No. GBMF8685 toward the Princeton theory program, the Gordon and Betty Moore Foundation's EPiQS Initiative (Grant No. GBMF11070), the Office of Naval Research (ONR Grant No. N00014-20-1-2303), the Global Collaborative Network Grant at Princeton University, the Simons Investigator Grant No. 404513, the NSF-MERSEC (Grant No. MERSEC DMR 2011750), Princeton Catalysis Initiative, the Schmidt Foundation at the Princeton University, and the National Science Foundation through the AI Research Institutes program Award No. DMR-2433348. Y.J. and partially B.A.B. were supported by a European Research Council (ERC) under the European Union's Horizon 2020 research and innovation program (Grant Agreement No. 101020833). This work is part of the Finnish Centre of Excellence in Quantum Materials (QMAT). We thank Kristjan Haule and Théo Cavignac for useful discussions. S.K.P. acknowledge the support from Rice university Smalley-Curl Institute through post-doctoral fellowship.

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