• 文献标题:   Diffusion of Si and C atoms on and between graphene layers
  • 文献类型:   Article
  • 作  者:   XIAN LD, CHOU MY
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICS DAPPLIED PHYSICS
  • ISSN:   0022-3727 EI 1361-6463
  • 通讯作者地址:   Georgia Inst Technol
  • 被引频次:   14
  • DOI:   10.1088/0022-3727/45/45/455309
  • 出版年:   2012

▎ 摘  要

The growth of epitaxial graphene on SiC surfaces is accompanied by the evaporation of Si atoms during the growth process. The continuous loss of Si atoms takes place even after the surface graphene layers are formed. Understanding the atomic transport process involved is critical in establishing a growth mechanism to model and control the process. Using density functional theory, we have calculated the potential energy variation and studied the diffusion of Si and C atoms on a single layer of graphene and between graphene sheets. Our results show that Si atoms can move almost freely on graphene and between graphene layers, while C atoms have much larger diffusion barriers. This work provides a detailed description of the energetics of relevant processes in the growth of epitaxial graphene on SiC surfaces.