Affiliation:
1. Henan University of Science and Technology
2. Shanghai University
Abstract
Performing ab-initio total-energy calculations to investigate the adsorption and diffusion
processes of the Au atoms with both the clean Si(001)-(1×1) and H-terminated Si(001)-(2×1) surfaces. It
was found that, on the clean Si(001)-(1×1) surface, the most stable adsorption sites for Au atoms are
middle part of four Si atoms, while on H-terminated Si(001)-(2×1) surface, the most stable sites are the
middle part of a Si-Si dimer. The result showed that surface hydrogenation make most stable site transfer
and affect the adsorption of Au on Si(001) surface.
Publisher
Trans Tech Publications, Ltd.
Subject
Mechanical Engineering,Mechanics of Materials,General Materials Science
Cited by
2 articles.
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