Jiang Yong-Cheng, Kariyado Toshikaze, Hu Xiao
Research Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science (NIMS), Tsukuba, 305-0044, Japan.
Graduate School of Science and Technology, University of Tsukuba, Tsukuba, 305-8571, Japan.
Sci Rep. 2024 Aug 1;14(1):17829. doi: 10.1038/s41598-024-68558-6.
Electronic band structures in hydrogenated graphene are theoretically investigated by means of first-principle calculations and an effective tight-binding model. It is shown that regularly designed hydrogenation to graphene gives rise to a large band gap about 1 eV. Remarkably, by changing the spatial pattern of the hydrogenation, topologically distinct states can be realized, where the topological nontriviality is detected by parity indices in bulk and confirmed by the existence of gapless edge/interface states as protected by the mirror and sublattice symmetries. The analysis of the wave functions reveals that the helical edge states in hydrogenated graphene with the appropriate design carry pseudospin currents that are reminiscent of the quantum spin Hall effect. Our work shows the potential of hydrogenated graphene in pseudospin-based device applications.
通过第一性原理计算和有效的紧束缚模型,从理论上研究了氢化石墨烯中的电子能带结构。结果表明,对石墨烯进行规则设计的氢化会产生约1电子伏特的大带隙。值得注意的是,通过改变氢化的空间模式,可以实现拓扑不同的状态,其中拓扑非平凡性通过体中的宇称指标检测,并通过由镜像和子晶格对称性保护的无隙边缘/界面态的存在得到证实。波函数分析表明,具有适当设计的氢化石墨烯中的螺旋边缘态携带赝自旋电流,这让人联想到量子自旋霍尔效应。我们的工作展示了氢化石墨烯在基于赝自旋的器件应用中的潜力。