• 文献标题:   Self-consistent tight-binding model of B and N doping in graphene
  • 文献类型:   Article
  • 作  者:   PEDERSEN TG, PEDERSEN JG
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   1098-0121
  • 通讯作者地址:   Aalborg Univ
  • 被引频次:   18
  • DOI:   10.1103/PhysRevB.87.155433
  • 出版年:   2013

▎ 摘  要

Boron and nitrogen substitutional impurities in graphene are analyzed using a self-consistent tight-binding approach. An analytical result for the impurity Green's function is derived taking broken electron-hole symmetry into account and validated by comparison to numerical diagonalization. The impurity potential depends sensitively on the impurity occupancy, leading to a self-consistency requirement. We solve this problem using the impurity Green's function and determine the self-consistent local density of states at the impurity site and, thereby, identify acceptor and donor energy resonances. DOI: 10.1103/PhysRevB.87.155433