Journal
JAPANESE JOURNAL OF APPLIED PHYSICS
Volume 49, Issue 2, Pages -Publisher
IOP PUBLISHING LTD
DOI: 10.1143/JJAP.49.020204
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- CREST
- Japan Science and Technology Agency
- Ministry of Education, Culture, Sports, Science and Technology of Japan
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Using the first-principle total-energy procedure within the framework of the density functional theory, we study the electronic structure of graphene adsorbed on hexagonal boron nitride (h-BN). We find that the linear dispersion band of graphene is fragile and that graphene adsorbed on h-BN exhibits semiconducting properties with a narrow energy gap. The energy gap size depends weakly on the relative atomic arrangement between graphene and the h-BN substrate. Nonuniform electron density on the substrate causes an imbalance in the electrostatic potential between the two sublattices on graphene, leading to their semiconducting property when adsorbed on h-BN. (C) 2010 The Japan Society of Applied Physics
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