• 文献标题:   Substitutional doping of graphene: The role of carbon divacancies
  • 文献类型:   Article
  • 作  者:   TSETSERIS L, WANG B, PANTELIDES ST
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   2469-9950 EI 2469-9969
  • 通讯作者地址:   Natl Tech Univ Athens
  • 被引频次:   34
  • DOI:   10.1103/PhysRevB.89.035411
  • 出版年:   2014

▎ 摘  要

The most common approach to dope an electronic material is to substitute a constituent atom with a suitable impurity. Here we show with first-principles calculations that this is not the best recipe for doping graphene with Al, P, Ga, or As impurities. Instead, substitution of two C atoms by one of these species is preferred (the ideal choice is phosphorus), as it shifts the Fermi level in the valence band without affecting significant changes in the electronic properties of low-energy carriers. This alternative way of doping could help optimize graphene-based devices and provide analogous doping schemes in other graphenelike materials.