Effects of symmetry and spin configuration on spin-dependent transport properties of iron-phthalocyanine-based devices

Effects of symmetry and spin configuration on spin-dependent transport properties of iron-phthalocyanine-based devices
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对称性和自旋构型对铁酞菁基器件自旋相关输运特性的影响

DOI:
10.1063/1.4890228
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发表时间:
2014-07
影响因子:
3.2
通讯作者:
Long, Meng-Qiu
Long, Meng-Qiu
中科院分区:
物理与天体物理3区
文献类型:
--
作者:
Cui, Li-Ling;Yang, Bing-Chu;Li, Xin-Mei;Cao, Can;Long, Meng-Qiu

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采用第一性原理量子输运计算方法研究了由铁酞菁(FePc)分子夹在锯齿形石墨烯纳米电极之间构建的纳米器件的自旋相关输运性质.考虑了电极的对称性和自旋组态的影响。研究发现,在这些器件中,大的磁电阻、大的自旋极化、双自旋滤波和负微分电阻(NDR)可以共存。结果表明,5 Z-FePc体系在平行(P)和反平行(AP)两种构型下均表现出良好的导电性能。对于6 Z-FePc-P体系,可以观察到自旋过滤效应和大的自旋极化,在6 Z-FePc-AP体系中还可以观察到自旋过滤和负阻的双重效应。我们的研究表明,双自旋过滤效应取决于能带的轨道对称性和电极的自旋失配。这些效应为它们在自旋阀、自旋过滤器以及高效自旋二极管器件中的应用开辟了可能性。
Spin-dependent transport properties of nanodevices constructed by iron-phthalocyanine (FePc) molecule sandwiched between two zigzag graphene nanoribbon electrodes are studied using first-principles quantum transport calculations. The effects of the symmetry and spin configuration of electrodes have been taken into account. It is found that large magnetoresistance, large spin polarization, dual spin-filtering, and negative differential resistance (NDR) can coexist in these devices. Our results show that 5Z-FePc system presents well conductive ability in both parallel (P) and anti-parallel (AP) configurations. For 6Z-FePc-P system, spin filtering effect and large spin polarization can be found. A dual spin filtering and NDR can also be shown in 6Z-FePc-AP. Our studies indicate that the dual spin filtering effect depends on the orbitals symmetry of the energy bands and spin mismatching of the electrodes. And all the effects would open up possibilities for their applications in spin-valve, spin-filter as well as effective spin diode devices.
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