期刊論文
| 學年 | 103 |
|---|---|
| 學期 | 1 |
| 出版（發表）日期 | 2014-12-01 |
| 作品名稱 | Avoiding critical-point phonon instabilities in two-dimensional materials: The origin of the stripe formation in epitaxial silicene |
| 作品名稱（其他語言） | |
| 著者 | Chi-Cheng Lee; Antoine Fleurence; Rainer Friedlein; Yukiko Yamada-Takamura; Taisuke Ozaki |
| 單位 | |
| 出版者 | |
| 著錄名稱、卷期、頁數 | Phys. Rev. B 90(24), p.241402(R) |
| 摘要 | The origin of the large-scale stripe pattern of epitaxial silicene on the ZrB2(0001) surface observed by scanning tunneling microscopy experiments is revealed by first-principles calculations. Without stripes, the (√3×√3)-reconstructed, one-atom-thick Si layer is found to exhibit a “zero-frequency” phonon instability at the M point. In order to avoid a divergent response, the relevant phonon mode triggers the spontaneous formation of a new phase with a particular stripe pattern offering a way to lower both the atomic surface density and the total energy of silicene on the particular substrate. The observed mechanism is a way for the system to handle epitaxial strain and may therefore be more common in two-dimensional epitaxial materials exhibiting a small lattice mismatch with the substrate. |
| 關鍵字 | |
| 語言 | en_US |
| ISSN | |
| 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 | USA |
| 公開徵稿 | |
| 出版型式 | ,電子版 |
| 相關連結 |
機構典藏連結 ( http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/117177 ) |