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Chemical Physics Letters, Vol.652, 1-5, 2016
A theoretical investigation on the magnetic and transport properties of the phosphorus nanoribbons with tetragons at the edges
Two-dimensional phosphorus structure composed of octagons and tetragons as well as the corresponding one-dimensional nanoribbons with tetragons at the two edges are investigated by using density functional theory. The stable two-dimensional structure has an all-bonding nature, which is explained with frontier crystal orbital. The anti-ferromagnetic one-dimensional nanoribbon with a smaller band gap is more stable than the ferromagnetic one. However, the half-metallic ferromagnetic structure is more stable under electron doping. The device composed of the undoped anti-ferromagnetic structure has negative differential resistance in a wide bias range, which is explained by an anti-ferromagnetism to ferro-magnetism transition. (C) 2016 Elsevier B.V. All rights reserved.
Keywords:Phosphorus nanoribbon;Density functional theory;Anti-ferromagnetism;Half-metal;Negative differential resistance