English

Machine Learning-Guided Discovery of Kagome Superconductors YRu3B2 and LuRu3B2

Superconductivity 2026-02-05 v2

Abstract

We report the experimental discovery of bulk superconductivity in two kagome lattice compounds, YRu3_3B2_2 and LuRu3_3B2_2, which were predicted through machine learning-accelerated high-throughput screening combined with first principles calculations. These materials crystallize in the hexagonal CeCo3_3B2_2-type structure with planar kagome networks formed by Ru atoms. We observe superconducting critical temperatures of Tc=0.81T_{c} = 0.81~K for YRu3_3B2_2 and Tc=0.95T_{c} = 0.95~K for LuRu3_3B2_2, confirmed through magnetization and specific heat measurements. Both compounds exhibit nearly 100\% superconducting volume fractions, demonstrating bulk superconductivity. Compared with LaRu3_3Si2_2, YRu3_3B2_2 and LuRu3_3B2_2 show a more dispersive Ru local dx2y2d_{x^2-y^2} quasi-flat band (and thus a reduced DOS at EFE_F) together with an overall hardening of the phonon spectrum, both of which lower the electron-phonon coupling (EPC) constant λ\lambda. Meanwhile, the dominant real-space EPC between Ru local dx2y2d_{x^2-y^2} states and the low-frequency Ru in-plane local xx branch remains nearly unchanged, indicating that the reduction of λ\lambda originates from the dx2y2d_{x^2-y^2} 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.

Keywords

Cite

@article{arxiv.2512.16945,
  title  = {Machine Learning-Guided Discovery of Kagome Superconductors YRu3B2 and LuRu3B2},
  author = {Rose Albu Mustaf and Sajilesh K. P. and Sanu Mishra and Junze Deng and Yi Jiang and Kaja H. Hiorth and Eeli O. Lamponen and Martin Gutierrez-Amigo and Päivi Törmä and Miguel A. L. Marques and B. Andrei Bernevig and Emilia Morosan},
  journal= {arXiv preprint arXiv:2512.16945},
  year   = {2026}
}