• 文献标题:   Strain-induced band-gap engineering of graphene monoxide and its effect on graphene
  • 文献类型:   Article
  • 作  者:   PU HH, RHIM SH, HIRSCHMUGL CJ, GAJDARDZISKAJOSIFOVSKA M, WEINERT M, CHEN JH
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   1098-0121
  • 通讯作者地址:   Univ Wisconsin
  • 被引频次:   17
  • DOI:   10.1103/PhysRevB.87.085417
  • 出版年:   2013

▎ 摘  要

Using first-principles calculations we demonstrate the feasibility of band-gap engineering in two-dimensional crystalline graphene monoxide (GMO), a recently reported graphene-based material with a 1:1 carbon/oxygen ratio. The band gap of GMO, which can be switched between direct and indirect, is tunable over a large range (0-1.35 eV) for accessible strains. Electron and hole transport occurs predominantly along the zigzag and armchair directions (armchair for both) when GMO is a direct- (indirect-) gap semiconductor. A band gap of similar to 0.5 eV is also induced in graphene at the K' points for GMO/graphene hybrid systems. DOI: 10.1103/PhysRevB.87.085417