Influence of surface degrees of freedom on the adsorption of Ge ad-atoms on Si(100)

Authors
Dalpian, GM Fazzio, A da Silva, AJR
Citation
Gm. Dalpian et al., Influence of surface degrees of freedom on the adsorption of Ge ad-atoms on Si(100), COMP MAT SC, 22(1-2), 2001, pp. 19-23
Citations number
27
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
COMPUTATIONAL MATERIALS SCIENCE
ISSN journal
09270256 → ACNP
Volume
22
Issue
1-2
Year of publication
2001
Pages
19 - 23
Database
ISI
SICI code
0927-0256(200111)22:1-2<19:IOSDOF>2.0.ZU;2-6
Abstract
The adsorption of the Ge monomer on the Si(I 0 0) surface is studied throug h first principles calculations based on the density-functional theory. We have observed that, for a given position of the monomer on the surface, the re are many local minima which differ in the substrate local configuration of the buckling of the silicon dimers. We show that this local configuratio n may also play an important role for the diffusion of these ad-atoms. (C) 2001 Elsevier Science B.V. All rights reserved.