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首页> 外文期刊>Physical chemistry chemical physics: PCCP >Surface decoration of phosphorene nanoribbons with 4d transition metal atoms for spintronics
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Surface decoration of phosphorene nanoribbons with 4d transition metal atoms for spintronics

机译：用4D过渡金属原子进行磷烯纳米植物的表面装饰，用于旋转金属原子

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摘要

The recent production of phosphorene nanoribbons provides a platform for designing phosphorene-based high-speed electronic devices. Introducing a magnetic moment to phosphorene nanoribbons for spintronics application is attractive. Based on density functional theory combined with the non-equilibrium Green's function method, the electronic, magnetic and spin-polarized transport properties of phosphorene nanoribbons modified by adsorption and substitutional doping of 4d transition metal atoms (Y, Zr, Nb and Mo) are investigated systematically. The results show that both the adsorption and the doping of 4d transition metal atoms can introduce a magnetic moment into phosphorene nanoribbons, except the Y- and Nb-doping cases. The adsorption shows superior performance in terms of modulating the electronic and magnetic properties of phosphorene nanoribbons compared to substitutional doping, exhibiting higher spin polarization near the Fermi level with a narrower band gap. This discrepancy originates from the different electronic redistribution in the adsorption and doping situations. Furthermore, the nanoribbons with adsorbed 4d transition metal atoms exhibit excellent spin-polarized transport properties: a giant magnetoresistance ratio of the Mo-adsorbed nanoribbon reaches over 10(8)under low bias; the Y-Mo-adsorbed nanoribbons with parallel spin configurations show a spin filtering effect of about 100% with the bias larger than 0.1 V, and those with antiparallel spin configurations exhibit a dual spin filtering effect in an applied bias range of (-0.2 V, 0.2 V). Our results demonstrate that 4d-transition-metal-atom adsorption is a favourable approach to modify the electronic, magnetic and transport properties of phosphorene nanoribbons, thus providing a reference for the rational design of spintronic devices based on phosphorene nanoribbons.
机译：最近的磷烯纳米布尔斯的生产提供了一种用于设计基于磷烯的高速电子设备的平台。向磷烯纳米施引入磷烯纳米用于磷烯纳米的磁矩具有吸引力。基于密度函数理论与非平衡绿色的功能法相结合，研究了通过吸附和替换4D过渡金属原子（Y，Zr，Nb和Mo）改性的磷烯纳米磷酰纳米泊的电子，磁性和旋转偏振性能（Y，Zr，Nb和Mo）。系统地。结果表明，除了Y和NB掺杂病例外，吸附和4D过渡金属原子的吸附和掺杂可以将磁矩引入磷烯纳米纤维植物。吸附在与替换掺杂相比，在调节磷烯纳米波氏的电子和磁性的方面的情况下表现出卓越的性能，在FERMI水平附近具有更高的旋转偏振，具有较窄的带隙。这种差异来自吸附和掺杂情况下的不同电子再分配。此外，具有吸附4D过渡金属原子的纳米纤维有优异的旋偏偏振性能：Mo吸附的纳米纳米纳米的巨磁能比在低偏压下达到10（8）次;具有平行自旋构型的Y-Mo吸附的纳米纤维率为大于0.1V的偏压，具有大于0.1V的旋转滤波效果，具有反平行自旋配置的偏置效应在施加的偏置范围内表现出双自旋滤波效果（-0.2V ，0.2 v）。我们的结果表明，4D-过渡金属 - 原子吸附是改变磷烯纳米波氏的电子，磁性和运输性能的有利方法，从而为基于磷烯纳米杆菌的旋转型器件的合理设计提供了参考。

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