Adsorption of Ag on Si(1 0 0) surface

✍ Scribed by Shu-yi Wei; Wei Li; Fang Zhang; Xu Zhao

• Publisher: Elsevier Science
• Year: 2007
• Tongue: English
• Weight: 165 KB
• Volume: 390
• Category: Article
• ISSN: 0921-4526
• DOI: 10.1016/j.physb.2006.08.028

✦ Synopsis

The chemisorption of one monolayer Ag atoms on an ideal Si(1 0 0) surface is studied by using the self-consistent tight-binding linear muffin-tin orbital method. The adsorption energies (E ad ) of different sites are calculated. It is found that the adsorbed Ag atoms are more favorable on C site (fourfold site) than on any other sites on Si(1 0 0) surface, the polar covalent bond is formed between Ag atom and surface Si atom, a Ag and Si mixed layer does not exist and does form an abrupt interface at the Ag-Si(1 0 0) interface. This is in agreement with the experiment results. The layer-projected density of states is calculated and compared with that of the clean surface. The charge transfer is also investigated. Comparing with the Au/Si(1 0 0) system, the interaction is weaker between Ag and Si than between Au and Si.