| Energy Landscape and Phase Competition of CsV3Sb5, CsV6Sb6 and TbMn6Sn6-Type Kagome Materials |
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| 作者姓名： | 蔡光辉 姜昱韬 周辉 喻泽 蒋坤 石友国 孟胜 刘淼 |
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| 作者单位： | 1. Beijing National Laboratory for Condensed Matter Physics,and Institute of Physics,Chinese Academy of Sciences;2. School of Physical Sciences,University of Chinese Academy of Sciences |
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| 基金项目： | the National Key R&D Program of China (Grant No. 2021YFA0718700)； |
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| 摘 要： | 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...
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