| Issue |
EPL
Volume 86, Number 3, May 2009
|
|
|---|---|---|
| Article Number | 36003 | |
| Number of page(s) | 6 | |
| Section | Condensed Matter: Structural, Mechanical and Thermal Properties | |
| DOI | https://doi.org/10.1209/0295-5075/86/36003 | |
| Published online | 18 May 2009 | |
Effects of charged surface states on Sb ad-dimer rotation on Si(001)
Surface Physics Laboratory (National Key Laboratory) and Department of Physics, Fudan University Shanghai 200433, PRC
Corresponding author: jgche@fudan.edu.cn
Received:
19
January
2009
Accepted:
2
April
2009
Based on first-principles calculations, we identify a two-stage process
for the rotation of Sb ad-dimer on Si(001). The bond between Sb and Si, which is
broken over transition states in the rotation pathway, undergoes changes from 
bonding to 
bonding near the transition states.
Being close to the Fermi level, these states are
sensitive to an external electric field, and thus may play a role in understanding
the reversible rotation of the Sb ad-dimer between two orthogonal orientated states on Si(001) observed by
scanning tunneling microscopy.
PACS: 68.43.Bc – Ab initio calculations of adsorbate structure and reactions / 68.43.Jk – Diffusion of adsorbates, kinetics of coarsening and aggregation / 68.43.Fg – Adsorbate structure (binding sites, geometry)
© EPLA, 2009
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