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Screening Promising CsV3Sb5-Like Kagome Materials from Systematic First-Principles Evaluation
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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... 相似文献
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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... 相似文献
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