Large kagome family candidates with topological superconductivity and charge density waves

A group of recently discovered nonmagnetic metal kagome structures AV₃Sb₅ (A = K, Rb, Cs) has aroused widespread interest both experimentally and theoretically due to their unusual charge density wave (CDW) and intertwined superconductivity. However, they all possess weak electron-phonon coupling (EPC) and low superconducting transition temperature T₂. Here, we perform high-throughput first-principles calculations on such kagome candidates with AV₃Sb₅ prototype structure, and propose 24 dynamically stable kagome metals. The calculation based on Bardeen-Cooper-Schrieffer theory shows that most of these metals are superconductors with much stronger EPC than the reported AV₃Sb₅ materials, and their T₂ are between 0. 3 and 5. 0 K. Moreover, several compounds, such as KZr₃Pb₅ with the highest T₂, are identified as Z₂ topological metals with clear Dirac cone topological surface states near the Fermi level. In addition, we take NaZr₃As₅ as an example to demonstrate the possible CDW phases. Our results provide rich platforms for exploring various physics with the kagome structure, in which the coexistence of superconductivity and the nontrivial topological nature provides promising insights for the discovery of topological superconductors.