Theoretical design of nano-graphene devices by the first-principles simulations

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Based on the physics of the edge states appearing as a unique Fermi-surface effect of nanographene microscopically fabricated, we analyzed conduction properties of nanographene devices theoretically, using effective theories given by the first-principles calculation scheme including the density functional theory. We have found that characteristics of devices are controlled, when edge structures of nanographene forming conduction channels are modified by utilizing controlled formation of graphene-electrode interfaces and graphene-substrate interfaces. We have proposed methods to control graphene devices by utilization of applied static electro-magnetic field, introduction of chemical species, and interface formation.