Adsorption and diffusion of Co on the Si(001) surface
Peng, G.W. Huan, A.C.H. Tok, E.S. Feng, Y.P.
Huan, A.C.H.
Citations
Altmetric:
Alternative Title
Abstract
First-principles methods are employed to investigate the adsorption and diffusion of Co on Si(001). After determining the surface and subsurface binding sites, the nudged elastic band calculations are performed to explore the surface diffusion and the inward diffusion from the surface into the subsurface for Co on Si(001). It is found that Co atoms diffuse quickly to the subsurface from the surface, while the surface diffusion is slower. At low coverage, our calculations predict that Co atoms will be mainly found underneath the surface Si layer, which is in agreement with experimental results. The diffusion coefficients for Co diffusion into the subsurface are also calculated and compared with experimental results. © 2006 The American Physical Society.
Keywords
Source Title
Physical Review B - Condensed Matter and Materials Physics
Publisher
Series/Report No.
Collections
Rights
Date
2006
DOI
10.1103/PhysRevB.74.195335
Type
Article