Au-8 cluster adsorption on Si(100):2 x 1 asymmetric surface studied by a first principles calculation

Date

2010-04-02

Author

Akturk, Olcay Uzengi
Tomak, Mehmet

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In this work, we investigate the adsorption of Au-8 cluster onto H-terminated Si(100):2 x 1 asymmetric surface by density functional theory within local density and generalized gradient approximations. We study the site-dependent shape of Au-8 cluster, adsorption energies, band structures and the corresponding charge distribution. We show that the electronic properties of the cluster and substrate complex change with the location of the cluster on the surface.

Subject Keywords

Materials Chemistry, Electronic, Optical and Magnetic Materials, Surfaces, Coatings and Films, Surfaces and Interfaces, Metals and Alloys

URI

https://hdl.handle.net/11511/47942

Collections

Department of Physics, Article