Addimer diffusion on the Si(100) surface

Citation
Gd. Lee et al., Addimer diffusion on the Si(100) surface, SURF REV L, 6(6), 1999, pp. 1015-1023
Citations number
20
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
SURFACE REVIEW AND LETTERS
ISSN journal
0218625X → ACNP
Volume
6
Issue
6
Year of publication
1999
Pages
1015 - 1023
Database
ISI
SICI code
0218-625X(199912)6:6<1015:ADOTSS>2.0.ZU;2-G
Abstract
Diffusion of silicon addimer along the trough and from the trough to the to p of dimer row on the Si(100) surface are investigated by tight-binding mol ecular dynamics calculations using the environment-dependent tight-binding silicon potential and by ab initio calculations using the Car-Parrinello me thod. The studies discover new diffusion pathways consisting of rotation of addimer. These new pathways have energy barriers in excellent agreement wi th experiment data and are more energetically favorable than other diffusio n pathways studied previously.