论文标题
在碳系统中单分子水平的构象变化调节的自旋传输 - 对第三碳特别主题的邀请
Conformational change-modulated spin transport at the single-molecule level in carbon systems --Invited for the Third Carbon Special Topic
论文作者
论文摘要
控制单分子水平的自旋传输，尤其是在不使用铁磁接触的情况下，它成为旋转研究的重点。受原子水平分子合成的进展，通过第一原理计算，我们研究了用原子碳链电极接触的石墨烯纳米瓦斯的自旋依赖性电子传输。发现通过旋转官能团，可以在完全极化和非极化状态之间切换在费米水平上的传输的自旋极化。此外，还可以实现旋转和旋转极化状态之间的过渡，作为双旋转滤波器运行。进一步的分析表明，由旋转引起的状态密度的自旋依赖性移位触发了传输峰的变化，然后导致自旋极化的变化。发现这种特征对纳米片和电极材料具有鲁棒性，显示出巨大的应用潜力。这些发现可能会阐明自旋设备的开发。
Controlling the spin transport at the single-molecule level, especially without the use of ferromagnetic contacts, becomes a focus of research in spintronics. Inspired by the progress on atomic-level molecular synthesis, through first-principles calculations, we investigate the spin-dependent electronic transport of graphene nanoflakes with side-bonded functional groups, contacted by atomic carbon chain electrodes. It is found that, by rotating the functional group, the spin polarization of the transmission at the Fermi level could be switched between completely polarized and unpolarized states. Moreover, the transition between spin-up and spin-down polarized states can also be achieved, operating as a dual-spin filter. Further analysis shows that, it is the spin-dependent shift of density of states, caused by the rotation, that triggers the shift of transmission peaks, and then results in the variation of spin polarization. Such a feature is found to be robust to the of the nanoflake and the electrode material, showing great application potential. Those findings may throw light on the development of spintronic devices.
