锯齿形石墨烯纳米带的非共线磁序与电子输运研究

Recently, magnetic order and electronic transport of graphene nanoribbon have becomes one of frontiers in condensed matter physics. However, some novel physical phenomena and mechanisms behind experimental results, e.g. noncollinear magnetism and spin orbit coupling, have not been studied yet. This project is focused on the effect of noncollinear magnetism on electronic structure and electronic transport of zigzag graphene nanoribbon. Considering zigzag graphene nanoribbon with atomic adsorption, substitution and substrate support, we are planning to study two important mechanisms, i.e. the competition between various exchange interaction and the spin orbit coupling, in determining the noncollinear magnetism in zigzag graphene nanoribbon. Moreover, based on research experience in both development of computational method of noncollinear magnetism and property prediction of graphene nanoribbon, we will extend the study from collinear to noncollinear. It is expected that our experience will be helpful for completing this proposal.

近年来，石墨烯纳米带的磁序与电子输运研究是凝聚态物理的前沿研究领域之一。然而，实验测量结果中蕴含的奇异物理特征和物理机制，如石墨烯纳米带的非共线磁序、自旋轨道耦合效应等，还未受到广泛的关注。本项目围绕非共线磁序这一主线，拟从非共线磁序的物理机制出发，对锯齿形石墨烯纳米带的非共线磁序与电子输运特征进行系统深入的研究。以吸附、掺杂和基底担载的锯齿形石墨烯纳米带为对象，研究交换作用竞争和自旋轨道耦合效应对非共线磁序的作用机制。项目组成员在非共线磁序与电子输运计算方法的发展上积累了诸多的研究经验，并拥有丰富的非共线磁序与石墨烯纳米带物性预测的研究积累，为本项目的顺利实施提供了有力的保障。

在石墨烯纳米带的自旋电子学研究中，人们大多关注共线磁序，对非共线磁序的关注较少。通过本项目的研究，我们揭示了锯齿型石墨烯纳米带的表面掺杂，吸附，不对称结构所引起的非共线磁序，着重探讨了这一类非共线磁序系统的电子输运性质。通过本项目的研究，我们不仅仅对于交换作用竞争和自旋轨道耦合引起的非共线磁序及电子输运给出了一些研究结果，而且对于设计基于非共线磁序的石墨烯纳米带器件提供了理论素材。此外，本项目在研究过程中所发展的非共线磁序电子输运计算方法和从非共线磁序到自旋波的拓展为这一领域提供了更多的研究手段和研究问题。目前发表SCI论文11篇，多篇论文发表在PRB、JMMM等学术刊物上。与国内外该领域的知名学者进行了多次互访，多次参加国内学术会议。