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Spin-resolved transport properties in zigzag α-graphyne nanoribbons with symmetric and asymmetric edge fluorinations

机译：具有对称和不对称边缘氟化的Zigzagα-Graphyne Nanoribbons中的旋转分辨的运输特性

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Using the non-equilibrium Green's function method and the spin-polarized density functional theory, we investigate the stability and spin-resolved electronic transport properties of zigzag α-graphyne nanoribbons (ZαGYNRs) with symmetric (F-ZαGYNRs-F) and asymmetric (F _(2) -ZαGYNRs-F) edge fluorinations. Our results show edge fluorination can enhance the stability of ZαGYNRs. The spin-resolved transport calculations reveal that the devices of F-ZαGYNRs-F with odd ribbon widths behave as a conductor with a linear current–voltage relationship, while the semiconductor property and perfect bipolar spin-filtering effect can be observed in those devices with even ribbon widths. In contrast, the spin-resolved transport properties of the asymmetric edge fluorinated F _(2) -ZαGYNRs-F systems are independent of the ribbon width. Moreover, the F _(2) -ZαGYNRs-F device is a perfect spin device with nearly 100% bipolar spin-filtering and spin negative differential resistance effects in a wide bias voltage region. And the magnetoresistance effect with the order of 10 ~(6) and the spin rectification ratio as high as 10 ~(8) have also been predicted. These phenomena suggest ZαGYNRs with asymmetric edge fluorination can be considered as a promising candidate material for nano-electronics and spintronics.
机译：使用非平衡绿色的功能方法和旋转偏振密度功能理论，研究Zigzagα-graphyne nanoribbons（zαgynrs）与对称（f-zαgynrs-f）和不对称（f _（2）-ZαGYNRS-F）边缘氟化。我们的结果显示边缘氟化可以增强Zαgynrs的稳定性。旋转分辨的传输计算表明，具有奇数带宽的F-ZαgynRS-F的器件表现为具有线性电流 - 电压关系的导体，而可以在这些设备中观察半导体性能和完美的双极自旋滤波效果甚至是色带宽度。相反，不对称边缘氟化F _（2）-ZαgynRS-F系统的自旋分离的传输特性与色带宽度无关。此外，F _（2）-ZαGYNRS-F器件是一个完美的旋转装置，具有近100％的双极旋转滤波和旋转负差分电阻效应在宽偏置电压区域中。还预测了10〜（6）的磁阻效应以及高达10〜（8）的旋转整流比。这些现象表明，具有不对称边缘氟化的Zαgysnrs可以被认为是用于纳米电子和闪闪发光的有希望的候选材料。

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