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24 April 2024
 
  » arxiv » 0807.0883

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Electronic Properties of Graphene Nanoribbon on Si(001) Substrate
Zhuhua Zhang ; Wanlin Guo ;
Date 6 Jul 2008
AbstractZigzag graphene nanoribbons (Z-GNRs) have the attractive half-metallic property in an electric field, but are always metallic. Here we find by density-functional calculations that single-layered Z-GNRs lose their half-metallic property when adsorbed on a Si(001) substrate as the localized edge-states are ruined by formation of covalent Si-C bonds. Fortunately, the amazing half-metallicity survives in bilayered Z-GNRs adsorbed on the substrate. It is also found that a Z-GNR adsorbed on the Si(001) surface perpendicularly to the silicon dimer rows can become semiconducting depending on its width, while a Z-GNR adsorbed on the surface parallel to the dimer rows always remains metallic.
Source arXiv, 0807.0883
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