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Applied Physics Letters / Volume 100 / Issue 5 / SEMICONDUCTORS

Appl. Phys. Lett. 100, 052104 (2012); http://dx.doi.org/10.1063/1.3679174 (3 pages)

Effect of electric field on the band structure of graphene/boron nitride and boron nitride/boron nitride bilayers

Radhakrishnan Balu1, Xiaoliang Zhong2, Ravindra Pandey2, and Shashi P. Karna1

1US Army Research Laboratory, Weapons and Materials Research Directorate, ATTN: RDRL-WM, Aberdeen Proving Ground, Maryland 21005-5069, USA
2Department of Physics, Michigan Technological University, Houghton, Michigan 49931, USA

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(Received 10 August 2011; accepted 3 January 2012; published online 30 January 2012)

Effect of electric field on the band structures of graphene/boron nitride (BN) and BN/BN bilayers is investigated within the framework of density functional theory. The calculated bandgap of the graphene/BN bilayer increases, although by small amount, with applied electric field. In the case of BN/BN bilayer, the bandgap decreases with the applied field in agreement with earlier studies. The modulation of bandgap in graphene/BN bilayers is dominated by the features of graphene and appears to be related to the modification in molecular orbitals as revealed by the calculated projected density of states.

© 2012 American Institute of Physics

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KEYWORDS and PACS

Keywords

boron compounds, density functional theory, electronic density of states, energy gap, graphene, III-V semiconductors, molecular electronic states, multilayers, wide band gap semiconductors

PACS

  • 71.20.Nr

    Semiconductor compounds

  • 71.15.Mb

    Density functional theory, local density approximation, gradient and other corrections

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.3679174

PUBLICATION DATA

ISSN

0003-6951 (print)  
1077-3118 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

For access to fully linked references, you need to log in.
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