Tuning the electronic structures and transport properties of zigzag blue phosphorene nanoribbons

Abstract: In recent years, single element two-dimensional atom crystal materials have aroused extensive interest in many applications. Blue phosphorus, successfully synthesized on Au substrate by molecular beam epitaxy not long ago, shows unusual geometrical and electronic structures. We investigate the electronic structures and transport properties of zigzag blue phosphorene nanoribbons by using a first-principles method, which can be obviously tuned via different groups passivation on the both edges. The ZBPNRs-H and ZBPNRs-OH present a wide gap semiconductor property. While the ZBPNRs-O are metallic. Interestingly, the current-voltage curves of ZBPNRs-O show a negative differential resistive effect, which is independent on the ribbon width. The electric current through the ZBPNRs-O is mainly flowing along the both outside zigzag phosphorus chains via the way of P-P bond current. Through modifying the both edges with various functional groups, the ZBPNRs can display some important functional characteristics and become a candidate of NDR devices.