Electric-field control of magnetic states, charge transfer, and patterning of adatoms on graphene: First-principles density functional theory calculations

摘要

We report the first-principles studies aiming at controlling the electronic structure and patterning of adatoms on graphene using an external electric field. We demonstrate that the localized magnetic moment of an Au atom or a NO_2 molecule on graphene can be continuously tuned by the electric field. We also show that the charge transfer between the Au atom and graphene sensitively depends on the direction and strength of the electric field applied. In addition, our calculations suggest that an electric field can be used to control the patterning of adatoms on graphene through the design of underlying electric gate. Our findings may be useful for the future design of graphene-based electronic devices.