Stability of metallic dimers on the Si(001) surface
- 16 October 1989
- journal article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 63 (16), 1704-1707
- https://doi.org/10.1103/physrevlett.63.1704
Abstract
Total energy calculations for prototype metals like Al and Ga on Si(001) 2×2, 2×1, and 1×2 surfaces predict important new structures and provide their bond strengths. It is estimated that at about 0.5-monolayer coverage the surface reconstruction is lifted and metallic dimers become stable. New low-energy Peierls-distorted structures provide a more natural explanation for the 5×2 and 3×2 LEED patterns. The reported trend in desorption energy as a function of coverage is reproduced, but more importantly specific conditions for observing this trend are obtained.Keywords
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