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Research Highlights, Gate Control of Quantum Interference and Direct Observation of Anti-resonance in Single Molecule Charge Transport

Materials and Chemistry

Gate Control of Quantum Interference and
Direct Observation of Anti-resonance
in Single Molecule Charge Transport

Marius Buerkle, ASAI Yoshihiro
Research Center for Computational Design of Advanced Functional Materials

Anti-resonance and new gating mechanisms in single-molecule charge transport

Precise measurements of electrical conductivity using electrochemically gated STM techniques have successfully verified theoretical predictions for charge transport in single molecules quantitatively over a wide energy range. In particular, anti-resonance, a result of quantum interference, was directly observed.

Observe and control effects of quantum interference on charge transport

For the utilization and design of single molecule channel materials with ultimate fine size, understanding the phenomena unique to the microscale is important. If quantum interference, which strongly affects charge transport in single molecules, can be controlled with high precision, it is expected to be developed into switching materials and other applications.

Gate control of quantum interference and anti-resonance in single molecule charge transport

Electrical conductivity was measured for a single molecule of diphenylbenzene using the electrochemically gated STM method over a wide energy range, and the measured values are in good agreement with independently developed first-principles simulation values. By tuning the quantum interference between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO), the anti-resonance characteristic of destructive interference was directly observed. By tuning the resonance state of the molecule, we also succeeded in continuously tuning the electrical conductivity by more than two orders of magnitude. This allowed us to demonstrate the gating principle based on quantum interference, a mechanism different from the gating mechanism by field-effect transistors.

Designing of nanoelectronic devices is also possible

We aim to contribute to the development of next-generation nanoelectronics as a basis for the use and design of single molecule channel materials. In addition, our originally developed method for first-principles electrical conduction simulation was proven to have high performance by this study. We will utilize this method for future data-driven material design.

Contact for inquiries related to this theme

Quantum Chemistry and Molecular Simulation Team, Research Center for Computational Design of Advanced Functional Materials

Marius Ernst BUERKLE, Chief Senior Researcher

AIST Tsukuba Central 2, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan

Web: https://unit.aist.go.jp/cd-fmat/index_en.html

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