Redox control of magnetic transport properties of a single anthraquinone molecule with different contacted geometries

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• 作者：Zhi-Qiang Fan^a ; ^b ; Wei-Yu Sun^a ; Xiang-Wei Jiang^b ; ^{xwjiang@semi.ac.cn} ; Zhen-Hua Zhang^a ; ^{lgzzhang@sohu.com} ; Xiao-Qing Deng^a ; Gui-Ping Tang^a ; Hai-Qing Xie^a ; Meng-Qiu Long^c
• 刊名：Carbon
• 出版年：2017
• 出版时间：March 2017
• 年：2017
• 卷：113
• 期：Complete
• 页码：18-25
• 全文大小：2369 K
• 卷排序：113

文摘

Controlling magnetic transport through a single molecule remains one of the most fundamental challenges of spin electronics. Here, we investigate the effects of the redox reaction on the magnetic transport properties of a single anthraquinone (AQ) molecule connected to zigzag graphene nanoribbon electrodes by using the non-equilibrium Green's function formalism with density functional theory. Two kinds of contacted types, isomeric AQ-14 and AQ-15, are considered in this work. The results show the excellent spin-filtering with 100% spin filtering efficiency can be found in AQ-14 molecular device. Redox reaction on the molecule doesn't affect its spin filtering behavior. After the contacted type changing, the spin-filtering behavior is only found in AQ-15 molecular device at the reduced state. When the molecule is oxidized, the α-spin current of the device is reduced dramatically leading to the absence of the spin-filtering behavior. More importantly, the on-off of the α-spin electronic conductance of AQ-15 induced by redox reaction can allow it be designed as a spin current switching.