Electronic structure of superlattices of graphene and hexagonal boron nitride

We 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 CB bond length at the interface between the two component materials. A sizeable band gap at the Dirac point i...

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Bibliographic Details
Published inJournal of materials chemistry Vol. 22; no. 3; pp. 919 - 922
Main Authors Kaloni, T. P, Cheng, Y. C, Schwingenschlgl, U
Format Journal Article
LanguageEnglish
Published 01.01.2012
Subjects
Bonding
Boron nitride
Density functional theory
Electronic structure
Graphene
Metal oxide semiconductors
Metal oxides
Semiconductors
Superlattices
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Summary:We 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 CB 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. GGA+vdW band structure and partial densities of states for a single graphene layer alternating with a single h-BN layer.
Bibliography:ObjectType-Article-2
SourceType-Scholarly Journals-1
ObjectType-Feature-1
content type line 23
ISSN:0959-9428
1364-5501
DOI:10.1039/c1jm14895h