Atomic arrangement of Si adatom on the Silicene/Ag(111) surface
masahiro.fukuda / T4_silicene_Si_adatom_on_Ag111
概要
In this study, we used non-contact atomic force microscopy and scanning tunneling microscopy to visualize and control the Si adatom on $4 \times 4$-silicene monolayer on the Ag(111) surface at atomic resolution. The local reconstruction of monolayer silicene with Si adatom has been determined by density functional theory calculations. This database provides the input files and the results of the DFT calculations by OpenMX.
- URL
- https://isspns-gitlab.issp.u-tokyo.ac.jp/masahiro.fukuda/T4_silicene_Si_adatom_on_Ag111
- DOI
- 10.1016/j.apsusc.2023.157336
- 被引用数
- 3 件（OpenAlex、2026-10-05 時点）
- 著者
- Yuuki Adachi, Runnan Zhang, Xinbo Wang, Masahiro Fukuda, Taisuke Ozaki, Yoshiaki Sugimoto
- ライセンス
- CC BY 4.0
- キーワード
- siliceneSi adatomsAg(111) substratetwo-dimensional islandslocal reconstructionband structure tuningatomic manipulationtwo-dimensional materials（論文のキーワード、OpenAlex より）
- カテゴリ
- 電子状態計算（固体物理）
- 関連文献
- Applied Surface Science, 157336 (2023).
- 関連ソフトウェア
- OpenMX (リンク先: PASUMS ソフトウェアカタログ)
- 連絡先
- masahiro.fukuda__at__issp.u-tokyo.ac.jp (__at__ を @ に置き換えてください。)
論文と引用
このデータを利用した場合は、次の論文を引用してください。
Yuuki Adachi et al., "Atomic arrangement of Si adatom on the Silicene/Ag(111) surface", Applied Surface Science 630, 157336 (2023). https://doi.org/10.1016/j.apsusc.2023.157336
BibTeX を表示
@article{Adachi_2023, title={Atomic arrangement of Si adatom on the Silicene/Ag(111) surface}, volume={630}, ISSN={0169-4332}, url={http://dx.doi.org/10.1016/j.apsusc.2023.157336}, DOI={10.1016/j.apsusc.2023.157336}, journal={Applied Surface Science}, publisher={Elsevier BV}, author={Adachi, Yuuki and Zhang, Runnan and Wang, Xinbo and Fukuda, Masahiro and Ozaki, Taisuke and Sugimoto, Yoshiaki}, year={2023}, month=Sept, pages={157336} }書誌情報とオープンアクセスのリンクは OpenAlex、BibTeX は doi.org（出版社が登録した情報）から取得しています。
README
Atomic arrangement of Si adatom on the Silicene/Ag(111) surface
About
In this study, we used non-contact atomic force microscopy and scanning tunneling microscopy to visualize and control the Si adatom on $4 \times 4$-silicene monolayer on the Ag(111) surface at atomic resolution. The local reconstruction of monolayer silicene with Si adatom has been determined by density functional theory calculations. This database provides the input files and the results of the DFT calculations by OpenMX.
License, Copyright of the database
- CC BY 4.0
We hope that you cite the reference when you publish the results using our data:
Applied Surface Science, 157336 (2023).
Usage
Install Database
Using git
git clone https://isspns-gitlab.issp.u-tokyo.ac.jp/masahiro.fukuda/T4_silicene_Si_adatom_on_Ag111.gitOn browser Click the download button of this project.
Data info
- This database includes input files and geometrical optimization results of the $\alpha$-phase and $\beta$-phase of ($4 \times 4$) silicene with/without Si adatom at T4' or H3' site on Ag(111) surface.
data/T4/GGA_3layers- GGA is applied for DFT calculations.
- The 3 atomic layers of Ag(111) are used as the substrate.
data/T4/GGA_3layers/k331_E300- $3 \times 3 \times 1$ mesh of k points and the cut off energy $E_{\rm cut}=300 ({\rm Ry})$.
data/T4/GGA_3layers/k331_E300/T4_alpha_H3p- T4_alpha (T4_beta) means $\alpha$-phase ($\beta$-phase) of ($4 \times 4$) silicene on Ag(111).
- T4p (H3p) means silicene with adatom at T4' (H3') site.
data/T4/GGA_7layers_unfolding- Results of unfolding band weight and partial DOS calculations.
- The other data for 5, 6, 7, 8 layers is similar to the above data structure.
Contact
Masahiro FUKUDA (ISSP, Univ. of Tokyo) masahiro.fukuda__at__issp.u-tokyo.ac.jp please replace __at__ by @.
出典: https://isspns-gitlab.issp.u-tokyo.ac.jp/masahiro.fukuda/T4_silicene_Si_adatom_on_Ag111 の README