期刊論文
| 學年 | 89 |
|---|---|
| 學期 | 1 |
| 出版（發表）日期 | 2000-10-01 |
| 作品名稱 | Structural relaxation and longitudinal dipole moment of SrTiO3(001)(1×1) surfaces |
| 作品名稱（其他語言） | |
| 著者 | Cheng, C.; Kunc, K. ; Lee, M. 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) 62(15), pp.10409-10418 |
| 摘要 | First-principles calculations are employed to study SrTiO3(001) (1×1) surfaces with both SrO and TiO2 termination. A detailed geometry of the relaxed systems, surface energy, and the individual relaxation energies of the two types of surface are obtained. The longitudinal surface dipole moments are derived from variation of the macroscopic electrostatic potential along the surface normal direction. Pseudopotential–plane-wave calculations are performed in the slab geometry, on both symmetric and asymmetric slabs; the merits and the limits of the latter geometry are discussed. |
| 關鍵字 | |
| 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/987654321/27784 ) |