• 文献标题:   Electronic properties of zigzag graphene nanoribbons on Si(001)
  • 文献类型:   Article
  • 作  者:   ZHANG ZH, GUO WL
  • 作者关键词:   adsorption, dangling bond, density functional theory, electronic structure, elemental semiconductor, energy gap, graphene, silicon, surface state
  • 出版物名称:   APPLIED PHYSICS LETTERS
  • ISSN:   0003-6951 EI 1077-3118
  • 通讯作者地址:   Nanjing Univ Aeronaut Astronaut
  • 被引频次:   24
  • DOI:   10.1063/1.3179426
  • 出版年:   2009

▎ 摘  要

We show by first-principles calculations that the electronic properties of zigzag graphene nanoribbons (Z-GNRs) adsorbed on Si(001) substrate strongly depend on ribbon width and adsorption orientation. Only narrow Z-GNRs with even rows of zigzag chains across their width adsorbed perpendicularly to the Si dimer rows possess an energy gap, while wider Z-GNRs are metallic due to width-dependent interface hybridization. The Z-GNRs can be metastably adsorbed parallel to the Si dimer rows, but show uniform metallic nature independent of ribbon width due to adsorption-induced dangling-bond states on the Si surface.