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Framework for identifying non–van der Waals two-dimensional materials
http://hdl.handle.net/10258/0002000426
http://hdl.handle.net/10258/00020004268e5aa376-1ce2-4774-9452-301586b138ea
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
crw6-zvpx.pdf (6.3 MB)
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| アイテムタイプ | 学術雑誌論文 / Journal Article.(1) | |||||||||||||
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| 公開日 | 2025-11-19 | |||||||||||||
| 書誌情報 |
en : Physical Review B 巻 112, 号 7, 発行日 2025-08-01 |
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| タイトル | ||||||||||||||
| タイトル | Framework for identifying non–van der Waals two-dimensional materials | |||||||||||||
| 言語 | en | |||||||||||||
| 言語 | ||||||||||||||
| 言語 | eng | |||||||||||||
| 資源タイプ | ||||||||||||||
| 資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||||||||||
| 資源タイプ | journal article | |||||||||||||
| アクセス権 | ||||||||||||||
| アクセス権 | open access | |||||||||||||
| アクセス権URI | http://purl.org/coar/access_right/c_abf2 | |||||||||||||
| 著者 |
小野, 頌太
× 小野, 頌太
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| 抄録 | ||||||||||||||
| 内容記述タイプ | Abstract | |||||||||||||
| 内容記述 | 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 trun- cated from surfaces. The non-vdW 2D materials exhibit a deviation from the law of finite-thickness excess energy (FTEE) inverse to the number of layers in the monolayer limit. This framework is applied to single-component systems, which successfully identifies non-vdW 2D materials including silicene and goldene that are overlooked in the dimensional analysis of the parent crystals. The anomalies of FTEE at specific thickness are found in Pb and Ga thin films, supporting the creation of plumbene and gallenene. The framework is also applied to multi-component systems with cubic and hexagonal symmetry (zincblende- and fluorite-types and tungsten carbide- and PtSbBa-types, respectively). Among them, several non-vdW 2D materials are identified to be dynamically stable. Structural transformation from hexagonal to almost tetragonal symmetry is observed in metallic TiS and ZrTe thin films. Our framework is useful for identifying non-vdW 2D materials. | |||||||||||||
| 言語 | en | |||||||||||||
| 出版者 | ||||||||||||||
| 出版者 | American Physical Society | |||||||||||||
| 言語 | en | |||||||||||||
| DOI | ||||||||||||||
| 関連タイプ | isVersionOf | |||||||||||||
| 識別子タイプ | DOI | |||||||||||||
| 関連識別子 | 10.1103/crw6-zvpx | |||||||||||||
| ISSN | ||||||||||||||
| 収録物識別子タイプ | EISSN | |||||||||||||
| 収録物識別子 | 2469-9969 | |||||||||||||
| 権利 | ||||||||||||||
| 権利情報 | ©2025 American Physical Society | |||||||||||||
| 言語 | en | |||||||||||||
| 著者版フラグ | ||||||||||||||
| 出版タイプ | AM | |||||||||||||
| 出版タイプResource | http://purl.org/coar/version/c_ab4af688f83e57aa | |||||||||||||
