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INITIAL PROCESSES OF HYDROGEN CHEMISORPTION ON Si(111) SURFACE
https://doi.org/10.1142/S0217979206035722Cited by:0 (Source: Crossref)
Abstract
The chemisorption of one monolayer H atoms on Si(111) surface is studied by using the self-consistent, tight-binding, linear muffin-tin orbital method. Energies of adsorption systems, the layer projected density of states (LPDOS) and charge distributions are calculated. It is found that the adsorbed H atoms are more favorable on the top site with a distance of 0.185 nm above the Si surface. The LPDOS in the clean surface decreases significantly after H adsorption, since the dangling bonds of the surface atoms are partially saturated by the adsorbed H atoms.
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