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Metastable atomic configurations for oxygen adsorption on Si (100) surfaces

✍ Scribed by Yoshiyuki Miyamoto; Atsushi Oshiyama; Akihiko Ishitani


Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
407 KB
Volume
74
Category
Article
ISSN
0038-1098

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Adsorption of hydrogen atoms on the Si(1
✍ Christine J. Wu; Emily A. Carter πŸ“‚ Article πŸ“… 1991 πŸ› Elsevier Science 🌐 English βš– 558 KB

The adsorption of atomic hydrogen on the reconstructed Si ( lOO)-2 x I surface is studied using embedded Si clusters as models of an extended Si surface. Analytic gradients of generalized valence bond (GVB) wavefunctions are used to predict equilibrium structures and harmonic vibrational frequencies