Ab initio temperature dependent studies of the homoepitaxial growth on Si(0 0 1) surface
Date
2001Source Title
Surface Science
Print ISSN
0039-6028
Volume
479
Issue
1-3
Pages
109 - 120
Language
English
Type
ArticleItem Usage Stats
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Abstract
We performed ab initio zero temperature and finite temperature molecular dynamics calculations to investigate the homoepitaxial growth on the Si(0 0 1) surface. How do the deposited atoms (adatoms) form addimers and how do the addimers reach their favorable positions at the nucleation site of the growth process are presented. Once two epitaxial addimers, one over the dimer row and oriented perpendicular to the surface dimer bonds and the other over the adjacent trough, are aligned at high temperature, the nucleation site of the growth process is formed. The concerted bond exchange between these addimers and the reconstructed surface dimers is found to be the atomistic mechanism that leads to the homoepitaxial growth. © 2001 Elsevier Science B.V.
Keywords
Adsorption kineticsDensity functional calculations
Epitaxy
Growth
Molecular dynamics
Silicon
Adsorption
Chemical bonds
Crystal orientation
Deposition
Epitaxial growth
Molecular dynamics
Morphology
Nucleation
Surface roughness
Surface treatment
Thermal effects
Adatoms
Addimers
Density functional theory
Homoepitaxy
Surface reconstruction
Silicon