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| Format: | Preprint |
| Publié: |
2025
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| Accès en ligne: | https://arxiv.org/abs/2512.21474 |
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| _version_ | 1866917169493704704 |
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| author | Ono, Shota |
| author_facet | Ono, Shota |
| contents | Carbon exhibits both a layered ground state structure that produces two-dimensional (2D) nanosheets and a non-layered diamond structure created under high pressure conditions. Motivated by this metastability relationship, we revisit the ground state structure of metal dichalcogenides that are known to have non-layered pyrite-type structure. Ultrathin films of pyrite-type ZnSe$_2$ spontaneously transform into a layered phase. This phase is identified as a ground state, and the monolayer exhibits strong elastic anisotropy and a semiconducting bandgap larger than that of the pyrite phase by a factor of two. We demonstrate that a two-valued but directional potential energy surface exists along a Bain-like distortion path, hiding the layered ground state. This work implies that many 2D materials are hidden in non-layered materials and connects 2D materials science with surface and high-pressure science. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2512_21474 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Hidden layered structures from carbon-analog metastability in metal dichalcogenides Ono, Shota Materials Science Carbon exhibits both a layered ground state structure that produces two-dimensional (2D) nanosheets and a non-layered diamond structure created under high pressure conditions. Motivated by this metastability relationship, we revisit the ground state structure of metal dichalcogenides that are known to have non-layered pyrite-type structure. Ultrathin films of pyrite-type ZnSe$_2$ spontaneously transform into a layered phase. This phase is identified as a ground state, and the monolayer exhibits strong elastic anisotropy and a semiconducting bandgap larger than that of the pyrite phase by a factor of two. We demonstrate that a two-valued but directional potential energy surface exists along a Bain-like distortion path, hiding the layered ground state. This work implies that many 2D materials are hidden in non-layered materials and connects 2D materials science with surface and high-pressure science. |
| title | Hidden layered structures from carbon-analog metastability in metal dichalcogenides |
| topic | Materials Science |
| url | https://arxiv.org/abs/2512.21474 |