Gao Yixuan, Zhang Yu-Yang, Du Shixuan
Institute of Physics and University of Chinese Academy of Sciences, Chinese Academy of Sciences, Beijing 100190, People's Republic of China.
J Phys Condens Matter. 2019 May 15;31(19):194001. doi: 10.1088/1361-648X/ab05a6. Epub 2019 Feb 8.
The epitaxial growth of graphene on transition-metal substrates has proved to be an efficient method to synthesize high-quality large-area graphene. However, due to the interaction between graphene and the transition-metal substrate, the electronic structure of the as-fabricated graphene is distorted. Here, using density functional theory calculations, we investigated the effect of intercalating two-dimensional (2D) silicon and III-V materials, such as double-layer honeycomb AlAs, into the graphene-metal interface. We found that the intercalation of these 2D materials significantly reduces the interaction between graphene and the transition-metal substrate. The Dirac state is largely restored. The doping level of graphene induced by 2D intercalated material and the metal substrate is proportional to the work function difference between graphene and 2D materials/metal. This work provides a way for the formation of freestanding graphene and further fabrication of graphene-based devices.
在过渡金属衬底上外延生长石墨烯已被证明是合成高质量大面积石墨烯的有效方法。然而,由于石墨烯与过渡金属衬底之间的相互作用,所制备的石墨烯的电子结构发生了畸变。在此,我们利用密度泛函理论计算,研究了将二维(2D)硅和III-V族材料(如双层蜂窝状AlAs)插入石墨烯-金属界面的效果。我们发现,这些二维材料的插入显著降低了石墨烯与过渡金属衬底之间的相互作用。狄拉克态在很大程度上得以恢复。二维插入材料和金属衬底诱导的石墨烯掺杂水平与石墨烯和二维材料/金属之间的功函数差成正比。这项工作为形成独立的石墨烯以及进一步制造基于石墨烯的器件提供了一种方法。