A nearly perfect spin filter and a spin logic gate based on a porphyrin/graphene hybrid material,Physical Chemistry Chemical Physics

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A nearly perfect spin filter and a spin logic gate based on a porphyrin/graphene hybrid material
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2018-01-05 00:00:00 , DOI: 10.1039/c7cp07795e
Jing Zeng _{1,

2,

2,

3,

4} , Ke-Qiu Chen _{3,

5,

6}

Affiliation

Although a lot of theoretical studies have designed perfect spin filters using inorganic/organic/organometallic materials, their fabrication methods are not experimentally feasible. This dilemma could be solved by a recent experiment, where porphyrins have been covalently coupled to graphene edges in a precise manner (Y. He et al., Nat. Chem., 2017, 9, 33–38). In particular, experimental results confirmed that the intrinsic features of porphyrins for metallation are preserved after dehydrogenative coupling to graphene edges, paving the way for realizing synthesizable spintronic devices. Inspired by this work, we report new M-porphyrin/graphene (M = Cr, Mn, Fe, and Co) hybrid systems with tunable functionalities on the basis of nonequilibrium Green's functions in combination with density functional theory. The Mn-porphyrin/graphene hybrid system exhibits an extremely high spin polarization coefficient in a parallel magnetic configuration. Our results also confirm that the magnetic configuration plays an important role in realizing a high-performance spin filter. The interesting spin transport properties in the parallel and antiparallel magnetic configurations also make the hybrid system a suitable candidate for realizing the AND logic operation.

中文翻译：

基于卟啉/石墨烯杂化材料的近乎完美的自旋滤波器和自旋逻辑门

尽管许多理论研究已经使用无机/有机/有机金属材料设计了完美的自旋滤波器，但其制造方法在实验上并不可行。这种困境可以由最近的实验，其中，卟啉已以精确的方式（Y.他被共价偶联到石墨烯边缘来解决等人，纳特。化学式，2017年，9，33–38）。特别是，实验结果证实，用于金属化的卟啉的固有特征在脱氢偶联至石墨烯边缘后得以保留，为实现可合成的自旋电子器件铺平了道路。受这项工作的启发，我们基于非平衡格林函数结合密度泛函理论，报告了具有可调功能的新型M-卟啉/石墨烯（M = Cr，Mn，Fe和Co）杂化体系。Mn-卟啉/石墨烯杂化体系在平行磁结构中表现出极高的自旋极化系数。我们的结果还证实，磁性结构在实现高性能自旋滤波器中起着重要作用。

更新日期：2018-01-05

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