First principles study of Si(335)-Au surface

Details First principles study of Si(335)-Au surface First principles study of Si(335)-Au surface

2007-12-20

arxiv.org/abs/0712.3448v1

Appl. Surf. Sci. 254, 4318 (2008)

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

14 pages, 5 figures

Scientific paper

10.1016/j.apsusc.2008.01.041

The structural and electronic properties of gold decorated Si(335) surface are studied by means of density-functional calculations. The resulting structural model indicates that the Au atoms substitute some of the Si atoms in the middle of the terrace in the surface layer. Calculated electronic band structure near the Fermi energy features two metallic bands, one coming from the step edge Si atoms and the other one having its origin in hybridization between the Au and neighboring Si atoms in the middle of the terrace. The obtained electronic bands remain in good agreement with photoemission data.

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