Prediction of 1:1 kagome metals with superconductivity and nontrivial band topology

Abstract

Kagome superconductors featuring topologically nontrivial band structures have attracted extensive research interest. FeSn and CoSn is an interesting kind of kagome material with intrinsic magnetism, which suppresses the emergence of superconductivity. Here, we theoretically predict a type of 1:1 kagome MSn (M=transition metal), which exhibits intrinsic superconductivity and nontrivial band topology by first-principles calculations. Among twenty-seven candidates, MSn (M=Mo, Hf, Nb, Ta, W, Ti) are theoretically identified as both dynamically and thermodynamically stable. Five nonmagnetic MSn (M=Mo, Hf, Nb, Ta, W) exhibit phonon-mediated superconductivity. Especially, the d orbital bands display Dirac points and van Hove singularities near the Fermi level, which contribute to the emergence of topology and the electron-phonon coupling (EPC). More interestingly, MoSn, HfSn, and NbSn show nontrivial topological band structure at the Fermi level. Thus, the predicted MSn establish a platform integrating superconductivity and topological order.

Source-reported materials — not catalogue approval

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