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Evidence of pairing and its role in the recombinative desorption of hydrogen from the Si(100)-2×1 surface

✍ Scribed by Boland, John J.


Book ID
118016608
Publisher
The American Physical Society
Year
1991
Tongue
English
Weight
688 KB
Volume
67
Category
Article
ISSN
0031-9007

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Adsorption of hydrogen atoms on the Si(1
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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