期刊論文
| 學年 | 109 |
|---|---|
| 學期 | 1 |
| 出版（發表）日期 | 2020-09-21 |
| 作品名稱 | Different mechanism of response of asymmetric lone pair electrons around ns2 cations to birefringence and second harmonic generation |
| 作品名稱（其他語言） | |
| 著者 | Xuerui Shi; Qun Jing; Zhaohui Chen; Ming-Hsien Lee; Haiming Duan; Hanqin Ding |
| 單位 | |
| 出版者 | |
| 著錄名稱、卷期、頁數 | Journal of Applied Physics 128(11), 113104 |
| 摘要 | The 6s2 lone-pair electrons (Pb2+, Bi3+) and 5s2 lone-pair electrons (Sn2+, Sb3+) show different responses to birefringence than they do to second harmonic generation (SHG). In the current work, different mechanisms of birefringence and SHG responses induced by Pb2+/Sn2+ cations were investigated using the first-principles method on AB2O3F2 (A = Ba, Sn, Pb). The obtained birefringence and SHG coefficients were in good agreement with the experimental values. The anisotropic lone-pair electron distribution was found at the states near the Fermi level containing cation sp-oxygen p states. Our analyses showed the birefringences of the AB2O3F2 (A = Ba, Sn, Pb) compounds to be directly affected by the anisotropic lone-pair electron distribution, however, the SHG responses of these three compounds have a more complicated relationship with the hybrid cation-oxygen states. The expanded hybrid cation-oxygen states including the lone-pair states were concluded to endow the PbB2O3F2 compound with a stronger SHG response than those displayed by the other compounds. |
| 關鍵字 | |
| 語言 | en |
| ISSN | 1089-7550 |
| 期刊性質 | 國外 |
| 收錄於 | SCI |
| 產學合作 | |
| 通訊作者 | |
| 審稿制度 | 是 |
| 國別 | GBR |
| 公開徵稿 | |
| 出版型式 | ,電子版,紙本 |
| 相關連結 |
機構典藏連結 ( http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/120773 ) |