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| Main Authors: | , , , , |
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| Format: | Preprint |
| Published: |
2025
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2510.08903 |
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| _version_ | 1866917001516023808 |
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| author | Wang, Xing-Yu Bao, En-Qi Shen, Su-Yang Yuan, Jun-Hui Wang, Jiafu |
| author_facet | Wang, Xing-Yu Bao, En-Qi Shen, Su-Yang Yuan, Jun-Hui Wang, Jiafu |
| contents | Two-dimensional (2D) kagome materials have drawn extensive research interest due to their unique electronic properties, like flat bands, magnetic frustration, and topological quantum states, which enable precise quantum state control and novel device innovation. Yet, simultaneously achieving high stability, tunability, and multifunctionality in 2D kagome systems remains a key material design challenge. In this study, we innovatively propose a new paradigm for constructing two-dimensional multi-kagome-layer materials based on the "1+3" design concept. By seamlessly integrating high-throughput screening techniques, we have successfully identified 6,379 novel 2D multilayer kagome candidates from a vast pool of candidates. These materials exhibit a rich diversity of types, encompassing 173 metals, 27 semimetals, 166 ferromagnetic semiconductors, and as many as 6,013 semiconductors. Furthermore, based on the 2D flat-band scoring criteria, we conducted a detailed analysis of the flat-band characteristics of the energy bands near the Fermi level in the predicted systems. Our findings reveal that approximately two-thirds of the systems meet the 2D flat-band scoring criteria, and notably, several systems exhibit nearly perfect flat-band characteristics. Our work provides an excellent paradigm for the design and research of 2D multilayer kagome materials |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2510_08903 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | High-Throughput Screening of Transition Metal-Based 2D Multilayer Kagome Materials via the "1 + 3" Design Strategy Wang, Xing-Yu Bao, En-Qi Shen, Su-Yang Yuan, Jun-Hui Wang, Jiafu Materials Science Two-dimensional (2D) kagome materials have drawn extensive research interest due to their unique electronic properties, like flat bands, magnetic frustration, and topological quantum states, which enable precise quantum state control and novel device innovation. Yet, simultaneously achieving high stability, tunability, and multifunctionality in 2D kagome systems remains a key material design challenge. In this study, we innovatively propose a new paradigm for constructing two-dimensional multi-kagome-layer materials based on the "1+3" design concept. By seamlessly integrating high-throughput screening techniques, we have successfully identified 6,379 novel 2D multilayer kagome candidates from a vast pool of candidates. These materials exhibit a rich diversity of types, encompassing 173 metals, 27 semimetals, 166 ferromagnetic semiconductors, and as many as 6,013 semiconductors. Furthermore, based on the 2D flat-band scoring criteria, we conducted a detailed analysis of the flat-band characteristics of the energy bands near the Fermi level in the predicted systems. Our findings reveal that approximately two-thirds of the systems meet the 2D flat-band scoring criteria, and notably, several systems exhibit nearly perfect flat-band characteristics. Our work provides an excellent paradigm for the design and research of 2D multilayer kagome materials |
| title | High-Throughput Screening of Transition Metal-Based 2D Multilayer Kagome Materials via the "1 + 3" Design Strategy |
| topic | Materials Science |
| url | https://arxiv.org/abs/2510.08903 |