A Framework for Identifying Non-van der Waals 2D Materials
Fuente:
arXiv
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| Autor principal: | |
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| Formato: | Preprint |
| Publicado: |
2025
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| Materias: | |
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| _version_ | 1866915424757612544 |
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| author | Ono, Shota |
| author_facet | Ono, Shota |
| contents | Two-dimensional (2D) materials are categorized into van der Waals (vdW) and non-vdW types. However, no relevant descriptors have been proposed for identifying the latter. Here, we identify the non-vdW 2D materials by calculating the thickness-dependence of total energy of thin films truncated from surfaces. The non-vdW 2D materials exhibit a deviation from the law of exfoliation energy inverse to the number of layers in the monolayer limit. This framework is applied to explore single- and multi-component systems, which predicts the synthesizability of several non-vdW 2D materials including silicene and goldene that are overlooked in the dimensional analysis of the parent crystals and also predicts that a Janus structure exists in nature but is hidden in 3D crystals. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2505_09853 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | A Framework for Identifying Non-van der Waals 2D Materials Ono, Shota Materials Science Mesoscale and Nanoscale Physics Two-dimensional (2D) materials are categorized into van der Waals (vdW) and non-vdW types. However, no relevant descriptors have been proposed for identifying the latter. Here, we identify the non-vdW 2D materials by calculating the thickness-dependence of total energy of thin films truncated from surfaces. The non-vdW 2D materials exhibit a deviation from the law of exfoliation energy inverse to the number of layers in the monolayer limit. This framework is applied to explore single- and multi-component systems, which predicts the synthesizability of several non-vdW 2D materials including silicene and goldene that are overlooked in the dimensional analysis of the parent crystals and also predicts that a Janus structure exists in nature but is hidden in 3D crystals. |
| title | A Framework for Identifying Non-van der Waals 2D Materials |
| topic | Materials Science Mesoscale and Nanoscale Physics |
| url | https://arxiv.org/abs/2505.09853 |