Title
First-principles study of strain-induced modulation of energy gaps of graphene/BN and BN bilayers
Document Type
Article
Publication Date
5-16-2011
Abstract
First-principles calculations based on density functional theory are performed on graphene/BN and BN bilayers to investigate the effect of the strain on their energy gaps. For the graphene/BN bilayer, the bands have characteristic graphenelike features with a small band gap at K. Application of strain modulates the band gap, whose magnitude depends on the strength of interaction between constituent monolayers. For the BN bilayer, on the other hand, a large band gap is predicted, which remains nearly the same for small strains. The increased inhomogeneity in charge density of different carbon sublattices due to a stronger interplanar interaction is the cause of the predicted variation in the band gap with strains applied along the perpendicular direction in the graphene/BN bilayer.
Publication Title
Physical Review B
Recommended Citation
Zhong, X.,
Yap, Y. K.,
Pandey, R.,
&
Karna, S. P.
(2011).
First-principles study of strain-induced modulation of energy gaps of graphene/BN and BN bilayers.
Physical Review B,
83, 193403.
http://doi.org/10.1103/PhysRevB.83.193403
Retrieved from: https://digitalcommons.mtu.edu/physics-fp/297
Version
Publisher's PDF
Publisher's Statement
©2011 American Physical Society. Publisher’s version of record: https://doi.org/10.1103/PhysRevB.83.193403