Dual spin filtering and negative differential resistance effects in vanadium doped zigzag phosphorene nanoribbons with different edge passivations

Abstract

By applying density functional theory combined with nonequilibrium Green’s function, we investigate the electronic and transport properties of V-doped zigzag phosphorene nanoribbons (ZPNRs) with different edge passivations. The results show that the electronic and transport properties of vanadium-doped ZPNRs (V-ZPNRs) can be tuned by the edge passivation types. V-ZPNRs passivated by sulfur atoms possess stronger conductivity than bared ones, and edge passivation by hydrogen and halogen (F and Cl) atoms can transform V-ZPNRs from magnetic metals to magnetic semiconductors. Moreover, due to the edge passivation by hydrogen and halogen atoms, V-ZPNRs exhibit dual spin polarizability and negative differential resistance effects. The findings provide theoretical support in modulating the electronic transport properties of ZPNRs, which may be useful in designing phosphorene-based spintronic devices.