화학공학소재연구정보센터
Applied Surface Science, Vol.184, No.1-4, 113-117, 2001
C adsorption and diffusion at the Si(001) surface: implications for SiC growth
The adsorption and diffusion of C adatoms on a-p(2 x 1) Si(001) has been investigated via first principles molecular dynamics. The study of the potential energy surface allows to locate the most favorable binding sites and the relative energy minima for a single adsorbed adatom. The energy surface is largely structured with deep minima and high maxima. This points at a low C mobility at the Si surface, at variance with different group IV adatoms, involving more covalent bonds.