期刊論文
| 學年 | 93 |
|---|---|
| 學期 | 1 |
| 出版（發表）日期 | 2004-11-01 |
| 作品名稱 | Electronic structure of nanostructured ZnO from x-ray absorption and emission spectroscopy and the local density approximation |
| 作品名稱（其他語言） | |
| 著者 | Dong, C. L.; Persson, C.; Vayssieres, L.; Augustsson, A.; Schmitt, T.; Mattesini, M.; Ahuja, R.; Chang, C. L.; Guo, J. H. |
| 單位 | 淡江大學物理學系 |
| 出版者 | College Park: American Physical Society |
| 著錄名稱、卷期、頁數 | Physical Review B (Condensed Matter and Materials Physics) 70(19), 195325(5pages) |
| 摘要 | O 1s absorption spectroscopy (XAS) and O Kα emission spectroscopy (XES) were performed to study the electronic structure of nanostructured ZnO. The band gap is determined by the combined absorption-emission spectrum. Resonantly excited XES spectra showing an energy dependence in the spectral shape reveal the selected excitations to the different Zn 3d, 4s, and 4p states in hybridization with O 2p states. The partial density of state obtained from local density approximation (LDA) and LDA+U calculations are compared with the experimental results. The LDA+U approach is suitable to correct LDA self-interaction error of the cation d states. The atomic eigenstates of 3d in zinc and 2p in oxygen are energetically close, which induces the strong interaction between Zn 3d and O 2p states. This anomalous valence band cation-d–anion-p hybridization is verified by taking into account the strong localization of the Zn 3d states. |
| 關鍵字 | zinc oxide; absorption spectroscopy; density functional theory; energy;excitation; flame photometry; hybridization; molecular interaction; structure analysis |
| 語言 | en |
| ISSN | 1098-0121 |
| 期刊性質 | 國外 |
| 收錄於 | SCI |
| 產學合作 | |
| 通訊作者 | |
| 審稿制度 | |
| 國別 | USA |
| 公開徵稿 | |
| 出版型式 | 紙本 |
| 相關連結 |
機構典藏連結 ( http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/27801 ) |