- Abstract:
-
We have studied diffusion pathways of a silyl radical adsorbed on the hydrogenated Si (100)-(2x1) surface by density-functional theory. The process is of interest for the growth of crystalline silicon by plasma-enhanced chemical vapor deposition. Preliminary searches for migration mechanisms have been performed using metadynamics simulations. Local minima and transition states have been further refined by using the nudged-elastic-band method. Barriers for diffusion from plausible adsorption s...
Expand abstract - Publisher copy:
- 10.1103/PhysRevB.76.245309
-
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- Journal:
- Physical Review B
- Volume:
- 76
- Issue:
- 24
- Pages:
- 245309
- Publication date:
- 2008-03-28
- DOI:
- EISSN:
-
1550-235X
- ISSN:
-
1098-0121
- URN:
-
uuid:515ef3bf-9c23-4a93-ae34-4f65f497f619
- Source identifiers:
-
289285
- Local pid:
- pubs:289285
- Language:
- English
- Keywords:
- Copyright date:
- 2008
Journal article
Diffusion and desorption of SiH3 on hydrogenated H:Si(100)-(2x1) from first principles
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