Abstract
The adsorption of lead (Pb) atoms on the clean Si(001)c(4×2) reconstructed surface as a function of the adatom coverage is investigated using density functional theory. It is shown that the growth of Pb adatom chains from the most stable monomer configuration, the end-dimer-bridge configuration, proceeds via the formation of inter- and intra-row ad-dimers, and ad-trimers. The calculated energetics of long Pb chains show that the most thermodynamically stable chains are composed exclusively of inter-row dimers, and that monomer termination of these chains is favoured over termination by a dimer.
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