| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 10676272 | Vacuum | 2005 | 5 Pages |
Abstract
The chemisorption of one monolayer Ni atoms on ideal Si(1Â 0Â 0) surface is studied by using the self-consistent tight binding linear muffin-tin orbital method. Energies of adsorption systems of Ni atoms on different sites are calculated. It is found that Ni atoms can adsorb at fourfold site above the surface and bridge site below the surface. The adsorption of Ni atoms can readily diffuse and penetrate into the subsurface. A Ni, Si mixed layer might exist at the Ni-Si(1Â 0Â 0) interface. The layer projected density states are calculated and compared with that of the clean surface. The charge transfers are also investigated.
Related Topics
Physical Sciences and Engineering
Materials Science
Surfaces, Coatings and Films
Authors
Li Ma, Jianguang Wang, Shuyi Wei, Guanghou Wang,