- 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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