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Molecular switch controlled by pulsed bias voltages.

Velimir Meded1, Alexei Bagrets, Andreas Arnold

  • 1Institut für Nanotechnologie, Forschungszentrum Karlsruhe, D-76021 Karlsruhe, Germany.

Small (Weinheim an Der Bergstrasse, Germany)
|June 23, 2009
PubMed
Summary
This summary is machine-generated.

Researchers investigated bistability in BPDN-DT molecules. Contrary to popular belief, polaron formation does not explain the switching behavior. Instead, molecular reorientation driven by an intrinsic dipole moment is proposed as the mechanism.

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Area of Science:

  • Molecular electronics
  • Organic electronics
  • Conductance switching mechanisms

Background:

  • Bistability in molecular junctions is crucial for electronic devices.
  • Previous hypotheses suggested polaron formation explains conductance switching in BPDN-DT.
  • Experimental studies observed controllable "on" and "off" states in BPDN-DT.

Purpose of the Study:

  • To investigate the mechanism behind the observed bistability in BPDN-DT molecular junctions.
  • To evaluate the role of polaron formation in the switching behavior.
  • To propose and theoretically support an alternative mechanism for conductance switching.

Main Methods:

  • Calculation of polaron formation energies.
  • Elaborated electronic structure calculations.
  • Analysis of molecular conformational phase space and dipole coupling to bias voltage.

Main Results:

  • Calculated polaron formation energies do not support polaron formation as the cause of bistability.
  • A conformational reorientation mechanism, driven by the molecule's intrinsic dipole moment, is proposed.
  • Theoretical current-voltage characteristics qualitatively match experimental observations.

Conclusions:

  • The study refutes polaron formation as the explanation for BPDN-DT bistability.
  • Molecular reorientation is identified as the likely mechanism for controlled conductance switching.
  • A pathway for experimental verification of the proposed mechanism is presented.