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Change in the nature of the Ni diffusion mechanism on the Si(111) surface with adsorption of Co atoms

✍ Scribed by A. E. Dolbak; B. Z. Ol’shanetskii; S. A. Tiis; R. A. Zhachuk

Book ID
110146431
Publisher
SP MAIK Nauka/Interperiodica
Year
1997
Tongue
English
Weight
54 KB
Volume
66
Category
Article
ISSN
0021-3640

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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