Screening Promising CsV3Sb5-Like Kagome Materials from Systematic First-Principles Evaluation

The Cs V₃Sb₅ kagome lattice holds the promise for manifesting electron correlation,topology and superconductivity.However,by far only three Cs V₃Sb₅-like kagome materials have been experimentally spotted.We enlarge this family of materials to 1386 compounds via element species substitution,and the further screening process suggests that 28 promising candidates have superior thermodynamic stability,hence they are highly likely to be synthesizable.Moreov...     

Energy Landscape and Phase Competition of CsV3Sb5, CsV6Sb6 and TbMn6Sn6-Type Kagome Materials

Finding viable Kagome lattices is vital for materializing novel phenomena in quantum materials.In this study,we performed element substitutions on CsV₃Sb₅ with space group P 6/mmm,TbMn₆Sn₆ with space group P 6/mmm,and CsV₆Sb₆ with space group ■,as the parent compounds.Totally 4158 materials were obtained through element substitutions,and these materials were then calculated via density functional theory in high-throughput mode.Aft...