| AVS 58th Annual International Symposium and Exhibition | |
| Graphene and Related Materials Focus Topic | Friday Sessions |
| Session GR+MS+EM-FrM |
| Session: | Graphene Device Physics and Applications |
| Presenter: | Sugata Mukherjee, S.N. Bose National Centre for Basic Sciences, India |
| Correspondent: | Click to Email |
First principles pseudopotential plane wave method was used to study ground state electronic properties of Graphene, hexagonal Boron Nitride (h-BN), Graphene doped with Boron and Nitrogen, and multilayers of Graphene and h-BN. Our results on doped Graphene indicate that upon electron (hole) doping, the Dirac-point in the electronic bandstructure shifts below (above) the Fermi level and a gap appears at the high-symmetric K-point. Upon co-doping of Graphene by both Boron and Nitrogen a small energy gap between the conduction and valence band appears at the Fermi level, making the CBN nanomaterial a narrow band semiconductor. The energy gap depends sensitively on the degree of doping and on the thickness of CBN layer. These results are in agreement with recent experimental measurements [1,2]. Our bandstructure calculations on the multilayers of Graphene and h-BN indicate that these nanostructured multilayers exhibit semiconducting behaviour with band gap in the range 60-600 meV depending on the relative orientation and thickness of the layers. (Author: Sugata Mukherjee, work done in collaboration with T.P. Kaloni)
1. X. wang et al, Science 324, 768 (2009)
2. L. Cie et al, Nature Materials 9, 430 (2010).