Zou Dongqing, Cui Bin, Kong Xiangru, Zhao Wenkai, Zhao Jingfen, Liu Desheng
School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, People's Republic of China.
Phys Chem Chem Phys. 2015 May 7;17(17):11292-300. doi: 10.1039/c5cp00544b.
A series of n-acene-graphene (n = 3, 4, 5, 6) devices, in which n-acene molecules are sandwiched between two zigzag graphene nanoribbon (ZGNR) electrodes, are modeled through the spin polarized density functional theory combined with the non-equilibrium Green's function technique. Our theoretical results show that for n-acene molecules ranging from anthracene to hexacene, the spin-polarized electronic states near the Fermi level can be induced by the spin-polarized ZGNR electrodes, which strengthen gradually to facilitate the electronic transport. A nearly 100% spin filtering ratio and a dual-orientation spin-rectifying effect are observed in a wide range of bias voltage. Importantly, an over 8000% giant magnetoresistance is obtained in the low bias range from -0.1 V to +0.1 V. Moreover, negative differential resistance behaviors are detected in these devices. The potential mechanisms of these intriguing phenomena are proposed and these findings would be instructive for the design and synthesis of high-performance graphene-based spin-related devices.
一系列的并苯-石墨烯(n = 3、4、5、6)器件,其中并苯分子夹在两个锯齿形石墨烯纳米带(ZGNR)电极之间,通过自旋极化密度泛函理论结合非平衡格林函数技术进行建模。我们的理论结果表明,对于从蒽到并六苯的并苯分子,费米能级附近的自旋极化电子态可由自旋极化的ZGNR电极诱导产生,且这种诱导作用逐渐增强以促进电子输运。在很宽的偏置电压范围内观察到了近100%的自旋过滤率和双取向自旋整流效应。重要的是,在-0.1 V至+0.1 V的低偏置范围内获得了超过8000%的巨磁阻。此外,在这些器件中检测到了负微分电阻行为。提出了这些有趣现象的潜在机制,这些发现将为高性能石墨烯基自旋相关器件的设计和合成提供指导。