A first-principles study of the spin transport properties of a 4H-TAHDI-based multifunctional spintronic device with graphene nanoribbon electrodes
A first-principles study of the spin transport properties of a 4H-TAHDI-based multifunctional spintronic device with graphene nanoribbon electrodes
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DOI：
10.1039/c4tc00895b
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发表时间：
2014-07
影响因子：
6.4
通讯作者：
P. Zhao;Qiu-Hua Wu;H. Liu;De-sheng Liu;Guozhu Chen
中科院分区：
文献类型：
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作者：
P. Zhao;Qiu-Hua Wu;H. Liu;De-sheng Liu;Guozhu Chen
通过使用非平衡格林函数形式与密度泛函理论相结合，我们研究了通过将 4H-TAHDI 分子与两个铁磁锯齿形边缘石墨烯纳米带电极接触而构建的基于 4H-TAHDI 的多功能自旋电子器件的自旋输运特性。结果表明，可以同时实现完美的巨磁阻效应、自旋滤波效应、双极自旋整流效应和负微分电阻效应。针对这些有趣的现象提出了机制。我们的结果表明，该系统在高性能多功能单分子自旋电子器件的设计中具有前景。
By using the nonequilibrium Green's function formalism in combination with the density functional theory, we have investigated the spin transport properties of a 4H-TAHDI-based multifunctional spintronic device constructed by contacting a 4H-TAHDI molecule with two ferromagnetic zigzag-edge graphene nanoribbon electrodes. The results show that perfect giant magnetoresistance, spin-filtering, bipolar spin-rectifying, and negative differential resistance effects can be realized simultaneously. The mechanisms were proposed for these interesting phenomena. Our results demonstrate that this system holds promise in the design of a high-performance multifunctional single-molecule spintronic device.