Electronic and magnetic properties of bare armchair BC2N nanoribbons

Abstract We present the electronic and magnetic properties of bare armchair BC 2 N nanoribbons (ABC 2 NNRs) in the view of density functional calculations. We consider three types of edge terminations with a width of 0.75 ~ 2.10 nm. All the investigated ribbons exhibit magnetic ground states with the magnetic moments mainly located on the edge C atoms. Room temperature accessible magnetic stabilities are obtained for ABC 2 NNRs with NC-NC and NC-BC edge alignments. We find the ABC 2 NNRs have various electronic structures, where half-metal, metal, and semiconductor are all acquired depend on the edge alignment and magnetic coupling state. The results show the ABC 2 NNRs can be a promising candidate material in nanoelectronics and nanospintronics.