Effects of charged surface states on Sb ad-dimer rotation on Si(001)Jian Zhao and J. G. Che
Surface Physics Laboratory (National Key Laboratory) and Department of Physics, Fudan University Shanghai 200433, PRC
received 19 January 2009; accepted in final form 2 April 2009; published May 2009
published online 18 May 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.
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