N. Franco et al., LOCAL-STRUCTURE OF NH2 ON SI(100)-(2X1) AND ITS EFFECT ON THE ASYMMETRY OF THE SI SURFACE DIMERS, Physical review letters, 79(4), 1997, pp. 673-676
A scanned-energy mode photoelectron diffraction study of the Si(100)-(
2 x 1) surface with adsorbed NH2 provides quantitative determination o
f key structural parameters previously only predicted from theoretical
calculations. In particular, the N atoms occupy off-atop sites at a d
imerized surface Si atom with N-Si bond lengths of 1.73 +/- 0.08 Angst
rom and bond angle relative to the surface normal of 21 degrees +/- 4
degrees. The adsorption greatly reduces the Si dimer asymmetry relativ
e to that of the clean surface.