期刊論文
| 學年 | 98 |
|---|---|
| 學期 | 2 |
| 出版（發表）日期 | 2010-07-01 |
| 作品名稱 | Eliminating ultraviolet optical absorption through Fe-impurity engineering: Ab initio study of the nonlinear optical crystal K2Al2B2O7 |
| 作品名稱（其他語言） | |
| 著者 | Lin, Z. S.; Xu, L. F.; Liu, Lijuan; Xu, J.; Lee, M. H.; Fang, Z.; Chen, C. T. |
| 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 82(3), 035124(6pages) |
| 摘要 | We show, based on systematic first-principles calculations, that the ultraviolet (UV) optical properties of the nonlinear optical crystal K2Al2B2O7 can be dramatically improved by eliminating the Fe impurity through the controlling of Fe charge state during crystal growth. Our results reveal that the Fe3+ impurity can easily replace the Al site with very low formation energy, resulting in the strong UV absorption which can be quantitatively understood from the formation of in-gap states and corresponding p-d transition. Moreover, it is demonstrated that modification of the Fe charge state greatly increases its formation energy, which prevents it from incorporation into the crystal during the growth process and results in the elimination of these absorption peaks and the improvement of UV optical properties. |
| 關鍵字 | |
| 語言 | en |
| ISSN | 1098-0121; 1550-235X |
| 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/987654321/72631 ) |