Band gap opening in methane intercalated graphene

Abstract

Recent experimental work has demonstrated production of quasi-free-standing graphene by methane intercalation. The intercalation weakens the coupling of adjacent graphene layers and yields Dirac fermion behaviour of monolayer graphene. We have investigated the electronic characteristics of a methane intercepted graphene bilayer under a perpendicularly applied electric field. Evolution of the band structure of intercalated graphene as a function of the bias is studied by means of density-functional theory including interlayer van der Waals interactions. The implications of controllable band gap opening in methane-intercalated graphene for future device applications are discussed.