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Visualizing Quantum Interference in Molecular Junctions.

Suman Gunasekaran1, Julia E Greenwald1, Latha Venkataraman1,2

  • 1Department of Chemistry, Columbia University, New York, New York 10027, United States.

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|March 7, 2020
PubMed
Summary
This summary is machine-generated.

Quantum interference (QI) in molecular junctions is visualized using a novel QI map. This map reveals that destructive QI effects are crucial for electron transport and conductance decay in molecular systems.

Keywords:
Green’s functionHückel modelconductance decaymolecular electronicsquantum interferencesingle-molecule junctiontransmission coefficient

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Area of Science:

  • Quantum chemistry
  • Molecular electronics
  • Condensed matter physics

Background:

  • Electron transport in molecular junctions is governed by the energy-dependent transmission function.
  • Quantum interference (QI) arises from electrons tunneling through multiple molecular orbitals (MOs) with varying phases.
  • The transmission function inherently combines interfering and noninterfering effects, obscuring individual QI contributions.

Purpose of the Study:

  • To develop a method for deconstructing the transmission function into its interfering and noninterfering components.
  • To visualize and identify individual QI effects within molecular junctions.
  • To elucidate the role of QI in electron transport and conductance decay.

Main Methods:

  • Deconstruction of the transmission function into constituent interfering and noninterfering contributions.
  • Matrix representation of these contributions.
  • Pictorial display as a Quantum Interference (QI) map.

Main Results:

  • The QI map allows for direct identification of individual QI effects in any model molecular junction.
  • Exponential conductance decay with increasing oligomer length is primarily attributed to increased destructive QI.
  • QI is identified as a fundamental factor in all molecular-scale electron transport.

Conclusions:

  • The QI map provides a powerful tool for analyzing electron transport mechanisms at the molecular level.
  • Understanding QI is essential for designing and controlling molecular electronic devices.
  • Quantum interference plays a vital and ubiquitous role in molecular electron transport.