Self-consistent tight-binding model of B and N doping in graphene

Article

关键词: NITROGEN-DOPED GRAPHENE;    MONOLAYER GRAPHENE;    GROWTH;   

DOI  :  10.1103/PhysRevB.87.155433

来源: SCIE

【 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

【 授权许可】

Free