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

oleh: H. H. Zhu, N. Liu, Y. L. Feng, K. L. Yao, S. Y. Wang

Format: Article
Diterbitkan: AIP Publishing LLC 2022-01-01

Deskripsi

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.