|
JAIST Repository >
c. マテリアルサイエンス研究科・マテリアルサイエンス系 >
c10. 学術雑誌論文等 >
c10-1. 雑誌掲載論文 >
このアイテムの引用には次の識別子を使用してください:
http://hdl.handle.net/10119/12324
|
| タイトル: | Band structure of silicene on zirconium diboride (0001) thin-film surface: Convergence of experiment and calculations in the one-Si-atom Brillouin zone |
| 著者: | Lee, Chi-Cheng
Fleurence, Antoine
Yamada-Takamura, Yukiko
Ozaki, Taisuke
Friedlein, Rainer |
| キーワード: | silicene
DFT
ARPES
electronic structure |
| 発行日: | 2014-08-22 |
| 出版者: | American Physical Society |
| 誌名: | Physical Review B |
| 巻: | 90 |
| 号: | 7 |
| 開始ページ: | 075422-1 |
| 終了ページ: | 075422-7 |
| DOI: | 10.1103/PhysRevB.90.075422 |
| 抄録: | So far, it represents a challenging task to reproduce angle-resolved photoelectron (ARPES) spectra of epitaxial silicene by first-principles calculations. Here, we report on the resolution of the previously controversial issue related to the structural configuration of silicene on the ZrB_2(0001) surface and its band structure. In particular, by representing the band structure in a large Brillouin zone associated with a single Si atom, it is found that the imaginary part of the one-particle Green's function follows the spectral weight observed in ARPES spectra. By additionally varying the in-plane lattice constant, the results of density functional theory calculations and ARPES data obtained in a wide energy range converge into the “planarlike” phase and provide the orbital character of electronic states in the vicinity of the Fermi level. It is anticipated that the choice of a smaller commensurate unit cell for the representation of the electronic structure will be useful for the study of epitaxial two-dimensional materials on various substrates in general. |
| Rights: | Chi-Cheng Lee, Antoine Fleurence, Yukiko Yamada-Takamura, Taisuke Ozaki, and Rainer Friedlein, Physical Review B, 90(7), 2014, 075422-1-075422-7. Copyright 2014 by the American Physical Society. http://dx.doi.org/10.1103/PhysRevB.90.075422 |
| URI: | http://hdl.handle.net/10119/12324 |
| 資料タイプ: | publisher |
| 出現コレクション: | c10-1. 雑誌掲載論文 (Journal Articles)
|
このアイテムのファイル:
| ファイル |
記述 |
サイズ | 形式 |
|---|
| 20945.pdf | | 2580Kb | Adobe PDF | 見る/開く |
|
当システムに保管されているアイテムはすべて著作権により保護されています。
|
