• 文献标题:   First-principles study of the doping effects in bilayer graphene
  • 文献类型:   Article
  • 作  者:   MAO YL, STOCKS GM, ZHONG JX
  • 作者关键词:  
  • 出版物名称:   NEW JOURNAL OF PHYSICS
  • ISSN:   1367-2630
  • 通讯作者地址:   Xiangtan Univ
  • 被引频次:   27
  • DOI:   10.1088/1367-2630/12/3/033046
  • 出版年:   2010

▎ 摘  要

We used first-principles calculations to study the doping effects in bilayer graphene, focusing on Au substitute doping in the upper layer of graphene. We found that Au doping in the upper layer maintains the lattice structure of the lower graphene layer. Our study on binding energy shows that the Au-doped bilayer structure is stable with Au atom tightly confined in a small region between the upper and lower layers. Charge density analysis indicates that charge is transferred from the Au donor to the carbon atoms in the lower layer, increasing the carrier density in the lower graphene.