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
Optical second-harmonic investigations of H2 and D2 adsorption on Si (100) 2 × 1: the surface temperature dependence of the sticking coefficient
✍ Scribed by P. Bratu; K.L. Kompa; U. Höfer
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 715 KB
- Volume
- 251
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
Optical second-harmonic generation has been used to determine the sticking probability for dissociative adsorption of HZ and D2 on Si( 100)2x 1 as a function of surface temperature. The initial sticking coefficient increases from 10e8 at 550 K to 10e5 at 1OOOK. It shows an activated behaviour as a function of the surface temperature with an activation energy of 0.70 f 0.1 eV for Hz and 0.75 f 0.1 eV for Dz. The results demonstrate that lattice distortions play a significantly stronger role in the adsorption process than would be expected solely from the tilting of Si-Si dimers.
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