Coexistence of superconductivity and nontrivial band topology in post-transition-metal decorated bilayer kagome borophene MB6 (M=In,Tl)

Abstract

Kagome lattice materials have attracted significant research interest due to their unique electronic structures and emergent quantum phenomena. Three-dimensional kagome systems have been extensively investigated, while the exploration of two-dimensional (2D) kagome materials remains relatively limited, presenting both scientific challenges and opportunities. In this work, through systematic first-principles calculations, MB6 (M=In,Tl), featuring in bilayer kagome borophene, are predicted to exhibit remarkable phonon-mediated superconductivity. These two compounds display superconducting transition temperatures (Tc) of 7.0 and 5.0 K, respectively, which are nearly two orders of magnitude higher than the 0.03 K predicted in intrinsic bilayer kagome borophene. Our analysis reveals that the coupling between B-pz, M−px/py (M=In,Tl) electrons and low-frequency phonons of metal atoms contributes greatly to their superconductivity. Notably, MB6 (M=In,Tl) possess nontrivial band topology, suggesting the potential candidates for topological superconductivity. This work not only expands the family of 2D superconducting materials, but also provides a theoretical exploration for novel quantum phenomena in kagome systems.

Source-reported materials — not catalogue approval

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