Atom Removing from the Si(001)(2x1)-H Surface Under STM Tip, Quantum-Chemical Approach
Abstract
Appropriate models are suggested for the supercluster simulating the Si(001) (2 x 1)-H surface as well as for the configuration of the electric field of an STM tip. A series of calculations have been performed for the supercluster in the electric field at different values of the field potentials and at different polarities. The electric field-stimulated desorption of hydrogen and silicon atoms has been observed at both polarities of the tip. The desorption reaction is a threshold one with the threshold potential somewhat higher at positively biased tip. The field impact is in a drastic redistribution of atomic charges in the substrate area under the tip that causes a weakening of interatomic bonding providing atom ren%oving.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jun 18, 1999
- Accession Number
- ADP012999
Entities
People
- E. A. Nikitina
- E. F. Sheka
- M. Aono