Ab initio temperature dependent studies of the homoepitaxial growth on Si(0 0 1) surface

Date
2001
Advisor
Instructor
Source Title
Surface Science
Print ISSN
0039-6028
Electronic ISSN
Publisher
Volume
479
Issue
1-3
Pages
109 - 120
Language
English
Type
Article
Journal Title
Journal ISSN
Volume Title
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.

Course
Other identifiers
Book Title
Keywords
Adsorption kinetics, Density 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
Citation
Published Version (Please cite this version)