THE STRUCTURES AND TRANSFORMATIONS ON SI(113) SURFACE

Authors
FENG KA MU XM LIN ZD XING YR
Citation
Ka. Feng et al., THE STRUCTURES AND TRANSFORMATIONS ON SI(113) SURFACE, Applied surface science, 120(1-2), 1997, pp. 94-98
Citations number
29
Categorie Soggetti
Physics, Condensed Matter","Chemistry Physical","Materials Science, Coatings & Films
Journal title
Applied surface science → ACNP
ISSN journal
01694332
Volume
120
Issue
1-2
Year of publication
1997
Pages
94 - 98
Database
ISI
SICI code
0169-4332(1997)120:1-2<94:TSATOS>2.0.ZU;2-N
Abstract
The surface structures of the Si(113)-(1 X 1), Si(113)-(3 X 1) and Si( 113)-(3 X 2) have been studied theoretically by means of an ab initio quantum chemical CNDO method. We address not only the importance of th e surface energy but also the energy minimization and the barrier heig ht in the different structural conversion. We found that (1) the relax ed Si(113)-(1 X 1) structure. (2) the Si(113)-(3 X 1) close to the Si( 113) Ranke (3 X 1)-2 model; (3) the atomic positions of Si(113)-(3 X 2 ) corrugated arrangement. (C) 1997 Elsevier Science B.V.