The reconstruction of the (110) surface, and chemisorption of Si atoms at this surface, were investigated by using a tight-binding molecular dynamics scheme which incorporated Green's function methods. This class of embedding method had the advantage of permitting the efficient embedding of a finite sub-space in an infinite or semi-infinite substrate. The results supported the rotational model for surface reconstructions of the n x 1 type; where n was greater than, or equal to, unity. Reconstruction of the (110) surface tended to be generally removed by the chemisorption of Si adatoms, and selectively removed in the presence of surface vacancies.

M.Menon, N.N.Lathiotakis, A.N.Andriotis: Physical Review B, 1997, 56[3], 1412-5