Quantum-interference-controlled three-terminal molecular transistors based on a single ring-shaped-molecule connected to graphene nanoribbon electrodes

Abstract

We study all-carbon-hydrogen molecular transistors where zigzag graphene nanoribbons play the role of three metallic electrodes connected to a ring-shaped 18-annulene molecule. Using the nonequilibrium Green function formalism combined with density functional theory, recently extended to multiterminal devices, we show that the proposed nanostructures exhibit exponentially small transmission when the source and drain electrodes are attached in a configuration that ensures destructive interference of electron paths around the ring. The third electrode, functioning either as an attached infinite-impedance voltage probe or as an "air-bridge" top gate covering half of molecular ring, introduces dephasing that brings the transistor into the "on" state with its transmission in the latter case approaching the maximum limit for a single conducting channel device. The current through the latter device can also be controlled in the far-from-equilibrium regime by applying a gate voltage.

5 pages, 4 color figures, PDFLaTeX, slightly expanded version of the published PRL article

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• First-principles quantum transport modeling of thermoelectricity in single-molecule nanojunctions with graphene nanoribbon electrodes
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• Stroboscopic wave packet description of time-dependent currents through ring-shaped nanostructures
• Dynamical Jahn-Teller effects on the generation of electronic ring currents by circularly polarized light