Zou Fei, Zhu Lin, Yao Kailun
School of Physics and Wuhan National High Magnetic Field Center, Huazhong University of Science and Technology, Wuhan 430074, China.
International Center of Materials Physics, Chinese Academy of Science, Shenyang 110015, China.
Sci Rep. 2015 Oct 30;5:15966. doi: 10.1038/srep15966.
On the basis of the density functional theory combined with the Keldysh nonequilibrium Green's function method, we investigate the spin-dependent transport properties of single-edge phosphorus-doped ZGNR systems with different widths. The results show a perfect spin filtering effect reaching 100% at a wide bias range in both parallel (P) and antiparallel (AP) spin configurations for all systems, especially for 6-ZGNR-P system. Instructively, for the AP spin configuration, the spin down current of the 4-ZGNR-P system exhibits a negative differential effect. By analyzing the transmission spectrum and the spin-resolved band structures of the electrodes, we elucidate the mechanism for these peculiar properties. Our findings provide a new way to produce multifunctional spintronic devices based on phosphorus-doped zigzag graphene nanoribbons.
基于密度泛函理论结合凯尔迪什非平衡格林函数方法，我们研究了不同宽度的单边磷掺杂锯齿形石墨烯纳米带（ZGNR）系统的自旋相关输运性质。结果表明，在所有系统中，对于平行（P）和反平行（AP）自旋构型，在宽偏压范围内都有完美的自旋过滤效应，达到100%，特别是对于6-ZGNR-P系统。具有启发性的是，对于AP自旋构型，4-ZGNR-P系统的自旋向下电流表现出负微分效应。通过分析电极的透射谱和自旋分辨能带结构，我们阐明了这些特殊性质的机制。我们的研究结果为基于磷掺杂锯齿形石墨烯纳米带制备多功能自旋电子器件提供了一种新方法。
