In:
Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, American Vacuum Society, Vol. 10, No. 4 ( 1992-07-01), p. 2046-2051
Abstract:
We present two applications of a first principles quantum molecular dynamics technique. In the first, we have determined the relaxed atomic geometry and the corresponding electronic structure of the Si(111) surface in the 5×5 dimer–adatom-stacking fault structure. We find a unique low temperature behavior for this surface, namely, corrugation of the adatoms on each side of the 5×5 unit cell, which we verify by the use of perturbation theory. In a second application, we have determined the relaxed atomic geometry and the corresponding electronic structure of the Al:Si(100) surface in both the 2×2 and the 2×3 reconstructions. In particular, we find that the Al dimers on this surface are parallel to, rather than perpendicular to, the Si dimer direction.
Type of Medium:
Online Resource
ISSN:
0734-2101
,
1520-8559
Language:
English
Publisher:
American Vacuum Society
Publication Date:
1992
detail.hit.zdb_id:
1475424-1
detail.hit.zdb_id:
797704-9