1.
Phys Rev Lett
; 100(4): 046105, 2008 Feb 01.
Artigo
em Inglês
| MEDLINE
| ID: mdl-18352308
RESUMO
Car-Parrinello simulations and static density-functional theory calculations reveal how hydrogen promotes growth of epitaxial, ordered Si films in plasma-enhanced chemical vapor deposition at low-temperature conditions where the exposed Si(001)-(2x1) surface is fully hydrogenated. Thermal H atoms, indeed, are shown to selectively etch adsorbed silyl back to the gas phase or to form adsorbed species which can be easily incorporated into the crystal down to T approximately 200 degrees C and start diffusing around T approximately 300 degrees C. Our results are well consistent with earlier experiments.