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Article
Symmetry-dependent band gap opening in graphene induced by g-C3N4 substrates
RSC Advances
  • Ji-Chang Ren, Department of Physics, University of Science and Technology of China,Hefei, China
  • Rui-Qin Zhang, Department of Physics and Materials Science, City University of Hong Kong, Hong Kong SAR, China
  • Zejun Ding, Department of Physics, University of Science and Technology of China,Hefei, China
  • Michel Andre Van Hove, Hong Kong Baptist University
Document Type
Journal Article
Disciplines
Abstract
Opening the band gap in graphene can significantly broaden its applications in electronic devices. By introducing four types of graphene-like carbon nitride (g-C3N4) as the substrate of graphene, we reveal, with first principles calculations, a symmetry and size dependent band gap opening in graphene. On the one hand, for a substrate with a 3-fold rotational symmetry, a small C3N4 unit can cause a large value of the band gap in the graphene layer. On the other hand, the band gap also depends on the symmetry of the substrate. A 3-fold symmetry induces a relatively small band gap, while rectangular and oblique symmetries result in a relatively large band gap opening in graphene but cause a much heavier effective mass of charge carriers. The former case is due to the nonequivalence of sub-lattices in graphene induced by the substrate, while for the latter case, interfacial hybridization plays the main role in band gap opening in graphene. Our theoretical findings could pave the way for the use of graphene-based semiconductor devices.
Publication Year
2014
Publisher
Royal Society of Chemistry
Referreed
1
DOI
10.1039/C4RA12626B
Citation Information
Ji-Chang Ren, Rui-Qin Zhang, Zejun Ding and Michel Andre Van Hove. "Symmetry-dependent band gap opening in graphene induced by g-C3N4 substrates" RSC Advances Vol. 4 Iss. 110 (2014) p. 64577 - 64582 ISSN: 20462069
Available at: http://works.bepress.com/mavanhove/70/