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  • Letter

Large kagome family candidates with topological superconductivity and charge density waves

Xin-Wei Yi1, Xing-Yu Ma1, Zhen Zhang1, Zheng-Wei Liao1, Jing-Yang You2,*, and Gang Su1,3,†

  • 1School of Physical Sciences, University of Chinese Academy of Sciences, Beijing 100049, China
  • 2Department of Physics, Faculty of Science, National University of Singapore, 117551 Singapore
  • 3Kavli Institute for Theoretical Sciences, and CAS Center for Excellence in Topological Quantum Computation, University of Chinese Academy of Sciences, Beijing 100190, China

  • *phyjyy@nus.edu.sg
  • †gsu@ucas.ac.cn

Phys. Rev. B 106, L220505 – Published 27 December, 2022

DOI: https://doi.org/10.1103/PhysRevB.106.L220505

Abstract

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 Tc. 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 Tc are between 0.3 and 5.0 K. Moreover, several compounds, such as KZr3Pb5 with the highest Tc, 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.

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