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Surfactant Effects of Au on Polar ZnO Surfaces |
| WEI Shu-Yi;WANG Zhi-Guo;YANG Zong-Xian |
| College of Physics and Information Engineering, Henan Normal University, Xinxiang 453007 |
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| Cite this article: |
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WEI Shu-Yi, WANG Zhi-Guo, YANG Zong-Xian 2007 Chin. Phys. Lett. 24 800-802 |
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Abstract The electronic properties of one monolayer of Au atoms on polar ZnO surfaces are examined by first-principles slab calculations. It is found that an Au ad-layer on top of the surface is energetically more favourable than other gold diffused cases, and Au capping layer on the ZnO polar surfaces may modify the growing properties of ZnO nanostructures by enhancing the binding energy.
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| Keywords:
68.47.Gh
71.15.Mb
71.15.Nc
73.20.At
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Received: 28 November 2006
Published: 08 February 2007
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| PACS: |
68.47.Gh
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(Oxide surfaces)
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71.15.Mb
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(Density functional theory, local density approximation, gradient and other corrections)
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71.15.Nc
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(Total energy and cohesive energy calculations)
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73.20.At
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(Surface states, band structure, electron density of states)
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