High-throughput DFT identifies 36 thermodynamically stable kagome compounds in the AV3Sb5 family, including substitutions with Au, Hg, Tl, and Ce, many exhibiting Dirac points, Van Hove singularities, or flat bands near the Fermi level.
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High-throughput study of kagome compounds in the AV3Sb5 family
High-throughput DFT identifies 36 thermodynamically stable kagome compounds in the AV3Sb5 family, including substitutions with Au, Hg, Tl, and Ce, many exhibiting Dirac points, Van Hove singularities, or flat bands near the Fermi level.