• 文献标题:   Energy gaps in nitrogen delta-doping graphene: A first-principles study
  • 文献类型:   Article
  • 作  者:   WEI XL, FANG H, WANG RZ, CHEN YP, ZHONG JX
  • 作者关键词:  
  • 出版物名称:   APPLIED PHYSICS LETTERS
  • ISSN:   0003-6951
  • 通讯作者地址:   Xiangtan Univ
  • 被引频次:   23
  • DOI:   10.1063/1.3609243
  • 出版年:   2011

▎ 摘  要

First-principles calculations are performed to study the modulation of energy gaps in nitrogen delta-doping (N delta-doping) graphene and armchair-edge graphene nanoribbons (AGNRs). The energy gap of graphene only opens at a large nitrogen doping content. For AGNRs, the energy gaps tend to decrease with the N delta-doping, and an interesting transition from direct to indirect bandgap is observed. Moreover, the effects of N delta-doping on energy gaps incline to decease with the reduction of the doping content. Our results may help to design novel graphene-based nanoelectronics devices by controlling N delta-doping of graphene. (C) 2011 American Institute of Physics. [doi:10.1063/1.3609243]