• 文献标题:   First-principles study of electronic structures of graphene on Y2O3
  • 文献类型:   Article, Proceedings Paper
  • 作  者:   KANEKO T, OHNO T
  • 作者关键词:  
  • 出版物名称:   JAPANESE JOURNAL OF APPLIED PHYSICS
  • ISSN:   0021-4922 EI 1347-4065
  • 通讯作者地址:   Natl Inst Mat Sci
  • 被引频次:   1
  • DOI:   10.7567/JJAP.55.06GF07
  • 出版年:   2016

▎ 摘  要

We investigate the structures, stability and electronic properties of graphene adsorbed on Y2O3(111) using first-principles calculations based on density functional theories. When the interface of Y2O3(111) is terminated by an Y-layer, graphene is chemisorbed on Y2O3, resulting in the strong modification of electronic band structures. When the Y2O3(111) surface is terminated with O atoms and extra O atoms, on the other hand, graphene is physisorbed on Y2O3(111). Therefore, an O-rich environment is preferable for the graphene and Y2O3 interface. (C) 2016 The Japan Society of Applied Physics