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Fluorite-type materials in the monolayer limit
http://hdl.handle.net/10258/0002000421
http://hdl.handle.net/10258/0002000421ff9d9e54-3e6a-428a-a835-3e5fdedb0f27
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
PhysRevMaterials_8_094002.pdf (2.1 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 Materials 巻 8, 号 9, 発行日 2024-09-19 |
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| タイトル | ||||||||||||||||
| タイトル | Fluorite-type materials in the monolayer limit | |||||||||||||||
| 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
× Pawar, Ravinder
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| 抄録 | ||||||||||||||||
| 内容記述タイプ | Abstract | |||||||||||||||
| 内容記述 | The 2H, 1T, and their distorted structures are known as prototype structures of AB2 monolayers. Here, we study a puckered (PCK) structure that is truncated from the (110) surface of fluorite-type materials. 53 fluorite-type materials are investigated based on first-principles approach. The formation energy calculations indicate that seven systems form the PCK structure in the monolayer limit, while other systems form either 1T, 2H, or distorted 1T structures. The PCK structures of PbF2 and Ga2Au exhibit negative Poisson’s ratio (NPR) in the out-of-plane direction. We explain the NPR by an analytical model assuming a constant interatomic distance under the in-plane strain. In addition, we demonstrate that the appearance of NPR is correlated with non-ionic character of the system, which is based on the surface energy calculations and the Born effective charge analyses. We also find that PRh2 in the PCK structure is highly distorted. | |||||||||||||||
| 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/PhysRevMaterials.8.094002 | |||||||||||||||
| ISSN | ||||||||||||||||
| 収録物識別子タイプ | EISSN | |||||||||||||||
| 収録物識別子 | 2475-9953 | |||||||||||||||
| 権利 | ||||||||||||||||
| 権利情報 | ©2024 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 | |||||||||||||||
