Abstract
The adsorption of one monolayer Co atoms on an ideal Si(1 0 0) surface is studied by using the self-consistent tight binding linear muffin-tin orbital method. Energies of adsorption systems of a Co atom on different sites are calculated. It is found that the adsorbed Co atoms are more favorable on C site (fourfold site) than on any other sites on Si(1 0 0) surface and a Co, Si mixed layer might exist at Co/Si(1 0 0) interface. The charge transfer and the layer projected density of states are also studied.
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