WEKO3
インデックスリンク
アイテム
Multiferroic BiFeO3 for Photovoltaic Applications : A First-principles Study
https://doi.org/10.24517/00011960
https://doi.org/10.24517/0001196033986234-03f9-4c71-8799-a2436b7f9ce1
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
ISCS2015Proceedings-94-99.pdf (6.1 MB)
|
.png)
|
| Item type | 報告書 / Research Paper(1) | |||||
|---|---|---|---|---|---|---|
| 公開日 | 2017-10-03 | |||||
| タイトル | ||||||
| タイトル | Multiferroic BiFeO3 for Photovoltaic Applications : A First-principles Study | |||||
| 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_18ws | |||||
| 資源タイプ | research report | |||||
| ID登録 | ||||||
| ID登録 | 10.24517/00011960 | |||||
| ID登録タイプ | JaLC | |||||
| 著者 |
Muhammad, Rifqi Al Fauzan
× Muhammad, Rifqi Al Fauzan× Ishii, Fumiyuki× Saito, Mineo |
|||||
| 提供者所属 | ||||||
| 内容記述タイプ | Other | |||||
| 内容記述 | 金沢大学ナノマテリアル研究所 / 金沢大学理工研究域数物科学系 | |||||
| 書誌情報 |
Recent development in computational science 巻 6, p. 94-99, 発行日 2015-05-31 |
|||||
| ISSN | ||||||
| 収録物識別子タイプ | ISSN | |||||
| 収録物識別子 | 2223-0785 | |||||
| 出版者 | ||||||
| 出版者 | Kanazawa e-Publishing | |||||
| 抄録 | ||||||
| 内容記述タイプ | Abstract | |||||
| 内容記述 | Ferroelectric materials are new candidates for photovoltaic materials. Ferroelectrics can produce photocurrents without using p-n junction which is necessary for conventional photo-voltaic devices. BiFeO3 is one of the most promising multiferroic materials having band gap of 2.5 eV. This band gap is too wide to be used as photovoltaic devices, therefore lower band gap is necessary. In order to reduce BiFeO3 band gap, we carry out a first-principles calculation. We study Cu substitution impurities. We introduce a single Cu atom in the 2x2x2 supercell and we find that the band gap is reduced by 0.039 eV. We expect the existence of optical transition energy between valence and impurity band with energy value 1.232 eV lower than the band gap of BiFeO3. | |||||
| 内容記述 | ||||||
| 内容記述タイプ | Other | |||||
| 内容記述 | Selected Papers from the International Symposium on Computational Science - International Symposium on Computational Science Kanazawa University, Japan | |||||
| 権利 | ||||||
| 権利情報 | Organizing Committee of ISCS 2015 | |||||
| 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 | |||||
