WEKO3
アイテム
FIRST-PRINCIPLES EVALUATION OF THE ENERGETICS OF SILICON-CARBIDE (SIC) POLYTYPES CONTAINING DEFECTS AND HETERO-ATOMS
https://doi.org/10.32286/0002002556
https://doi.org/10.32286/00020025567d2ff9dd-450f-4bfa-8045-aa131e69e8e5
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
KU-1100-20250320-01.pdf (1.1 MB)
|
|
| Item type | 紀要論文 / Departmental Bulletin Paper(1) | |||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 公開日 | 2025-03-25 | |||||||||||||
| タイトル | ||||||||||||||
| タイトル | FIRST-PRINCIPLES EVALUATION OF THE ENERGETICS OF SILICON-CARBIDE (SIC) POLYTYPES CONTAINING DEFECTS AND HETERO-ATOMS | |||||||||||||
| 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 | departmental bulletin paper | |||||||||||||
| ID登録 | ||||||||||||||
| ID登録 | 10.32286/0002002556 | |||||||||||||
| ID登録タイプ | JaLC | |||||||||||||
| 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 |
多田, 和弘
× 多田, 和弘
× 齋藤, 賢一
WEKO
1743
× 西村, 憲治× 佐藤, 知広× 宅間, 正則× 高橋, 可昌 |
|||||||||||||
| 概要 | ||||||||||||||
| 内容記述タイプ | Other | |||||||||||||
| 内容記述 | First-principles calculations were performed to investigate the energetics of silicon carbide (SiC) crystals, a promising material for next-generation power semiconductors. In this study, we focus on two polytypes (polymorphs) of silicon (Si) and carbon (C) systems, 3C-SiC and 4H-SiC, which exhibit excellent physical properties, examining their energy and atomic structures. When dopant elements such as nitrogen (N) atoms are added to SiC to enhance electrical conductivity, it remains unclear which SiC crystal type is most stable. To address this, we calculated the vacancy formation energy at different sites on individual stacking layers of 3C- or 4H-SiC, then evaluated the formation energy when an N atom occupies the vacancy site. First-principles calculations confirmed that vacancies energetically prefer to form at C atom sites in both 3C- and 4H-SiC. In addition, the doping energy in 3C-SiC is lower than that in 4H-SiC, due to differences in charge density around the impurity. Thus, a single N atom is more stable when doped into 3C-SiC compared to 4H-SiC. | |||||||||||||
| 言語 | en | |||||||||||||
| 書誌情報 |
en : Science and technology reports of Kansai University = 関西大学理工学研究報告 巻 67, p. 1-11, 発行日 2025-03-20 |
|||||||||||||
| ISSN | ||||||||||||||
| 収録物識別子タイプ | PISSN | |||||||||||||
| 収録物識別子 | 04532198 | |||||||||||||
| 書誌レコードID | ||||||||||||||
| 収録物識別子タイプ | NCID | |||||||||||||
| 収録物識別子 | AA12314657 | |||||||||||||
| 著者版フラグ | ||||||||||||||
| 出版タイプ | VoR | |||||||||||||
| 出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||||||||||
| 出版者 | ||||||||||||||
| 出版者 | Kansai University | |||||||||||||
| 言語 | en | |||||||||||||
| 出版者（他言語） | ||||||||||||||
| 言語 | ja | |||||||||||||
| 値 | 関西大学 | |||||||||||||
| キーワード | ||||||||||||||
| 言語 | ja | |||||||||||||
| 主題Scheme | Other | |||||||||||||
| 主題 | 関西大学 | |||||||||||||
| キーワード | ||||||||||||||
| 言語 | en | |||||||||||||
| 主題Scheme | Other | |||||||||||||
| 主題 | Kansai University | |||||||||||||
