A theoretical investigation on the magnetic and transport properties of the phosphorus nanoribbons with tetragons at the edges

作者：Zhao, Tiantian; Wang, Guo^*; Liao, Yi

来源：Chemical Physics Letters, 2016, 652: 1-5.

DOI：10.1016/j.cplett.2016.04.018

• Phosphorus nanoribbon
• Density functional theory
• Anti-ferromagnetism
• Half-metal
• Negative differential resistance

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.

• 出版日期2016-5-16
• 单位首都师范大学