||Carrier injection in nonbonding π states of N-doped graphene by an external electric field
Matsubara, ManahoOkada, Susumu
Japanese journal of applied physics
, p.075101 , 2017-06 , The Japan Society of Applied Physics
Using the density functional theory combined with an effective screening medium method, we studied the electronic structure of N-doped graphene under an external electric field. The electronic states near the Fermi level depend on the carrier concentration reflecting their wave function distribution. The electronic states associated with the dangling bond shift upward with increasing electron concentration, following the upward shift of the Fermi level. The electronic states associated with nonbonding π states almost retain their energy upon hole/electron doping by the external electric field.