The energetic and structural properties of SiH2 adsorbed on the single dimer vacancy (SDV) of the Si(100)-c(4x2) surface were studied by using empirical tight-binding (ETB) total energy calculations. The adsorptions of SiH2, SiH2 with a H adatom (SiH2+H) and SiH2 with two H adatoms (SiH2+2H) on the Si(100) surface with SDV structure were studied. Three possible sites (A, B and C) were found in each case. Adsorbing of SiH2 or H on the SDV makes the structure of the SDV change. When a unit of SiH2 was adsorbed on the SDV, the A site was more stable than the B site. If SiH2+H or SiH2+2H was adsorbed on the SDV, the relative stability of the A site and B site reverses. The C site was found to be the least stable site in all cases.

SiH2 Adsorption on the Single Dimer Vacancy of the Si(100) Surface. X.Y.Zhu, X.J.Huang: Journal of Physics - Condensed Matter, 2006, 18, 7045-50