Tunable Magnetic Semiconductor Behavior Driven by Half-Filled One Dimensional Band in Zigzag Phosphorene Nanoribbons

Abstract

An antiferromagnetic insulating state has been found in the zigzag phosphorene nanoribbons (ZPNRs) from a comprehensive density functional theory calculations. Comparing with other one-dimensional systems, the magnetism in ZPNRs display several surprising characteristics: (i) the magnetic moments are antiparallel arranged at each zigzag edge; (ii) the magnetism is quite stable in energy (about 29 meV/magnetic-ion) and the band gap is big (about 0.7 eV); (iii) a moderate compressive strain will induce a magnetic to nonmagnetic as well as semiconductor to metal transition. All of these phenomena arise naturally due to one unique mechanism, namely the electronic instability induced by the half-filled one dimensional bands which cross the Fermi level at around π/2a. The unusual electronic and magnetic properties in ZPNRs endow them great potential for the applications in nanoelectronic devices.

17 pages, 4 figurea

References in corpus (10)

• Energy Gaps in Graphene Nanoribbons
• Half-Metallic Graphene Nanoribbons
• Strain-Engineering Anisotropic Electrical Conductance of Phosphorene and Few-Layer Black Phosphorus
• Semiconducting layered blue phosphorus: A computational study
• Superior mechanical flexibility of phosphorene and few-layer black phosphorus
• Layer-dependent Band Alignment and Work Function of Few-Layer Phosphorene
• Phosphorene nanoribbons, nanotubes and van der Waals multilayers
• Unusual Scaling Laws of the Band Gap and Optical Absorption of Phosphorene Nanoribbons
• Phosphorene nanoribbons
• Peierls transition and edge reconstruction in phosphorene nanoribbons

Cited by in corpus (5)

• Phosphorene Edge Reconstruction by Self-Rolling
• Giant magnetoresistance and anomalous transport in phosphorene-based multilayers with noncollinear magnetization
• Electron spin dynamics of two-dimensional layered materials
• Graphene Nanoribbons Under Axial Compressive and Point Tensile Stresses
• Anisotropy engineering edge magnetism in zigzag honeycomb nanoribbons