Theoretical study of edge states in BC2N nanoribbons with zigzag edges
1 Nanosystem Research Institute, AIST, 1-1-1 Higashi, Tsukuba 305-8565, Japan
2 Computational Material Science Unit, NIMS, 1-2-1 Sengen, Tsukuba 305-0047, Japan
Nanoscale Research Letters 2013, 8:341 doi:10.1186/1556-276X-8-341Published: 31 July 2013
In this paper, electronic properties of BC2N nanoribbons with zigzag edges are studied theoretically using a tight binding model and the first-principles calculations based on the density functional theories. The zigzag BC2N nanoribbons have the flat bands when the atoms are arranged as B-C-N-C along the zigzag lines. In this arrangement, the effect of charge transfer is averaged since B and N atoms are doped in same sublattice sites. This effect is important for not only the formation of flat bands but also for the validity of the tight binding model for such system.