Structural identification of silicene on the Ag(111) surface by atomic force microscopy

Structural identification of silicene on the Ag(111) surface by atomic force microscopy

About

We identified structures of two types of buckled structure of ($\sqrt{13} \times \sqrt{13}$) R13.9$^\circ$ silicene on Ag(111) by using experimental high-resolution AFM imaging. The mechanism of high-resolution AFM imaging was elucidated by force spectroscopy combined with first-principles 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:
  Phys. Rev. B 98, 195311 (2018)

Usage

• Install Database

  • Using git

    git clone https://isspns-gitlab.issp.u-tokyo.ac.jp/masahiro.fukuda/root13_silicene_on_Ag111.git
    

  • On browser Click the download button of this project.

• Data info

  • data/surface/Ag:
    • The substrate is generated from primitive Ag.
  • data/surface/root13_Silicene_on_Ag
    • The input files and geometrical optimization results of the type A and type B of ($\sqrt{13} \times \sqrt{13}$) R13.9$^\circ$ silicene on Ag(111) and Ag(-1-1-1)
  • data/surface/root13_Silicene_on_Ag_2by2
    • $2 \times 2$ supercell results of the above
  • data/afm/root13_Silicene_on_Ag_2by2_tip001
    • The input files and geometrical optimization results of the type A and type B of ($\sqrt{13} \times \sqrt{13}$) R13.9$^\circ$ silicene on Ag(-1-1-1) with Si tip001 above a specific Si atom using a $2 \times 2$ supercell.
  • data/afm/root13_Silicene_on_Ag_tip111
    • The input files and geometrical optimization results of the type A and type B of ($\sqrt{13} \times \sqrt{13}$) R13.9$^\circ$ silicene on Ag(-1-1-1) with Si tip111 above a specific Si atom.

data
|---- afm
|   |---- data_in_fig5
|   |   |---- typeA
|   |   |---- typeB
|   |---- root13_Silicene_on_Ag_2by2_tip001
|   |   |---- TypeA_m1m1m1
|   |   |   |---- atom1
|   |   |   |---- atom4
|   |   |   |---- template
|   |   |---- TypeB_m1m1m1
|   |       |---- atom1
|   |       |---- atom4
|   |       |---- atom6
|   |       |---- template
|   |---- root13_Silicene_on_Ag_tip111
|       |---- TypeA_m1m1m1
|       |   |---- atom1
|       |   |---- atom12
|       |   |---- atom3
|       |   |---- atom4
|       |   |---- atom5
|       |   |---- template
|       |---- TypeB_111
|           |---- atom1
|           |---- atom12
|           |---- atom2
|           |---- atom3
|           |---- atom4
|           |---- atom5
|           |---- template
|---- surface
    |---- Ag
    |---- root13_Silicene_on_Ag
    |   |---- NEB_AB_111
    |   |---- TypeA_111
    |   |   |---- for_NEB
    |   |---- TypeA_m1m1m1
    |   |---- TypeB_111
    |   |---- TypeB_m1m1m1
    |---- root13_Silicene_on_Ag_2by2
        |---- TypeA_m1m1m1
        |---- TypeB_m1m1m1

Contact

Masahiro FUKUDA (ISSP, Univ. of Tokyo) masahiro.fukuda__at__issp.u-tokyo.ac.jp please replace __at__ by @.