Ti-doped alpha-Fe2O3 by quantum-chemical modeling
Structure and electronic properties of Ti-doped hematite (?-Fe 2O3) crystal have been studied using a quantum-chemical method based on the Hartree-Fock theory. A supercell model employing a system consisting of 120 atoms has been exploited throughout the investigation. The impurity presence produces...
保存先:
| 第一著者: | |
|---|---|
| その他の著者: | |
| フォーマット: | article |
| 出版事項: |
2010
|
| 主題: | |
| オンライン･アクセス: | http://dx.doi.org/10.1016/j.solidstatesciences.2010.05.019 http://dspace.utpl.edu.ec/handle/123456789/19316 |
| タグ: |
タグ追加
タグなし, このレコードへの初めてのタグを付けませんか!
|
タグ追加 このレコードへの初めてのコメントを付けませんか!