Electronic structure of superlattices of graphene and hexagonal boron nitride
KAUST DepartmentComputational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Permanent link to this recordhttp://hdl.handle.net/10754/315745
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AbstractWe study the electronic structure of superlattices consisting of graphene and hexagonal boron nitride slabs, using ab initio density functional theory. We find that the system favors a short C–B bond length at the interface between the two component materials. A sizeable band gap at the Dirac point is opened for superlattices with single graphene layers but not for superlattices with graphene bilayers. The system is promising for applications in electronic devices such as field effect transistors and metal-oxide semiconductors.
CitationKaloni TP, Cheng YC, Schwingenschlögl U (2011) Electronic structure of superlattices of graphene and hexagonal boron nitride. J Mater Chem 22: 919. doi:10.1039/c1jm14895h.
PublisherRoyal Society of Chemistry (RSC)
JournalJ. Mater. Chem.