Effect of electric field on the band structure of graphene/boron nitride and boron nitride/boron nitride bilayers
Abstract
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.
- Publication:
-
Applied Physics Letters
- Pub Date:
- January 2012
- DOI:
- 10.1063/1.3679174
- arXiv:
- arXiv:1108.1814
- Bibcode:
- 2012ApPhL.100e2104B
- Keywords:
-
- boron compounds;
- density functional theory;
- electronic density of states;
- energy gap;
- graphene;
- III-V semiconductors;
- molecular electronic states;
- multilayers;
- wide band gap semiconductors;
- 71.20.Nr;
- 71.15.Mb;
- Semiconductor compounds;
- Density functional theory local density approximation gradient and other corrections;
- Condensed Matter - Materials Science
- E-Print:
- doi:10.1063/1.3679174