Journal
CHEMICAL PHYSICS LETTERS
Volume 515, Issue 1-3, Pages 85-90Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2011.08.087
Keywords
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Funding
- Global Center of Excellence (COE) (Center of Excellence for Atomically Controlled Fabrication Technology) [H08]
- Japan Society for Promotion of Science (JSPS)
- Ministry of Education, Culture, Sports, Science and Technology of Japan (MEXT)
- Grants-in-Aid for Scientific Research [22510107, 10J00652] Funding Source: KAKEN
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We report band gap formation in graphene by using bonding interactions with Si impurities in the form of Si cluster (Si-n). We demonstrate that neither the distortion in graphene nor the periodicity of the adsorption can lead to band gap opening. The calculated band gap for Si-2 is 0.83 eV at Dirac points and the effect of this Si-C interaction is maintained even when the cluster size is increased. However, there is a strong dependence of the size of the band gap on the size of the Si-n. Analysis of the trend points to the change in the dispersion of the gap states due to the change in the Si-C bond. (C) 2011 Elsevier B.V. All rights reserved.
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