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

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• Strongly anisotropic RKKY interaction in monolayer black phosphorus
• Giant magnetoresistance and anomalous transport in phosphorene-based multilayers with noncollinear magnetization
• Exchange interaction of magnetic impurities in biased bilayer phosphorene nanoribbon
• Electron spin dynamics of two-dimensional layered materials
• Edge magnetic properties of black phosphorene nanoribbons
• Graphene Nanoribbons Under Axial Compressive and Point Tensile Stresses
• Tunable Half-Metallicity and Edge Magnetism of H-saturated InSe Nanoribbons
• Enhanced Linear Dichroism of Flattened-Edge Black Phosphorus Nanoribbons
• Anisotropy engineering edge magnetism in zigzag honeycomb nanoribbons