The initial stages of SiC growth on Si(001) are studied via ab initio molecular dynamics simulations at finite temperature. Several C coverages are considered, at various adsorption sites. At low T, C is adsorbed at the surface, with Si-C bond lengths close to that of bulk SiC. When increasing temperature, C adatoms are incorporated in the substrate subsurface layers, giving rise to the carbonization process. On the contrary, C dimers do not penetrate the substrate and remain stable even at the highest temperatures considered: our results point at radicals with single C atoms as efficient precursors for SiC growth. © 2001 American Institute of Physics.
First principles study of the initial stages of SiC growth on Si(001)
A Catellani
2001
Abstract
The initial stages of SiC growth on Si(001) are studied via ab initio molecular dynamics simulations at finite temperature. Several C coverages are considered, at various adsorption sites. At low T, C is adsorbed at the surface, with Si-C bond lengths close to that of bulk SiC. When increasing temperature, C adatoms are incorporated in the substrate subsurface layers, giving rise to the carbonization process. On the contrary, C dimers do not penetrate the substrate and remain stable even at the highest temperatures considered: our results point at radicals with single C atoms as efficient precursors for SiC growth. © 2001 American Institute of Physics.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
