Pb chain-like structures on the clean Si(001) surface - A DFT study

Title: Pb chain-like structures on the clean Si(001) surface - A DFT study
Creator: Jurczyszyn, L.; Radny, M. W.; Smith, P. V.
Relation: Surface Science Vol. 605, Issue 21-22, p. 1881-1888
Publisher Link: http://dx.doi.org/10.1016/j.susc.2011.06.025
Publisher: Elsevier
Resource Type: journal article
Date: 2011
Description: The adsorption of lead (Pb) atoms on the clean Si(001)c(4 x 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.
Subject: silicon; lead; adsorption; nucleation; surface thermodynamics; density functional calculations
Identifier: http://hdl.handle.net/1959.13/1065014
Identifier: uon:17768
Identifier: ISSN:0039-6028
Language: eng
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