论文标题
石墨烯通过GR/CO和GR/CO/IR界面上的氧插入通过氧插入
Graphene decoupling through oxygen intercalation on Gr/Co and Gr/Co/Ir interfaces
论文作者
论文摘要
我们对氧吸附对GR/CO（0001）和GR/CO/IR（111）接口的结构和电子特性的影响进行密度功能理论研究。在两个接口中，石墨烯-CO距离随着O浓度的增加而增加。氧插入有效地减少了电子相互作用，从而防止了与Co $ d $ - 轨道的石墨烯状态的杂交，因此（部分）（部分）恢复了原始石墨烯的典型狄拉克锥。在呈现Moiré模式的石墨烯/CO 1ML/IR（111）的情况下，可以使用O分布与石墨烯-CO注册表的连续变化之间的相互作用来调整石墨烯波纹和电子特性。计算的电子特性与先前报道的角度分辨光发射光谱和光发射电子显微镜测量值非常吻合（0001）。
We perform a density functional theory study of the effects of oxygen adsorption on the structural and electronic properties of Gr/Co(0001) and Gr/Co/Ir(111) interfaces. In both interfaces, the graphene-Co distance increases with increasing O concentration. The oxygen intercalation effectively decreases the electronic interaction, preventing the hybridization of graphene states with Co $d$-orbitals, hence (partly) restoring the typical Dirac cone of pristine graphene. In the case of graphene/Co 1ML/Ir(111), which presents a moiré pattern, the interplay between the O distribution and the continuous change of the graphene-Co registry can be used to tune graphene corrugation and electronic properties. The computed electronic properties are in very good agreement with previously reported angle resolved photoemission spectroscopy and photoemission electron microscopy measurements for Gr/Co(0001).
