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Adsorption of K on clean and hydrogenated Si(100)2 × 1

✍ Scribed by C.A. Papageorgopoulos; M Kamaratos


Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
306 KB
Volume
41
Category
Article
ISSN
0042-207X

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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