Article ID Journal Published Year Pages File Type
1561914 Computational Materials Science 2012 6 Pages PDF
Abstract
► We performed DFT study of the interaction between Si(1 1 1) surface and Al adatoms. ► The threefold-filled adsorption site is the most energy favored at low Al coverage. ► With the increase of Al coverage, Al atomic chains or clusters are formed. ► 1/3 ML Al adsorption surface is semiconducting while the clean surface metallic.
Keywords
Related Topics
Physical Sciences and Engineering Engineering Computational Mechanics
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