Ab initio study of the alternating current impedance of a molecular junction

Roi Baer*, Tamar Seideman, Shahal Ilani, Daniel Neuhauser

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

112 Scopus citations

Abstract

The small-bias conductance of the C 6 molecule, stretched between two metallic leads, was analyzed. The time-dependent density functional theory within the adiabatic local density approximation was used for the analysis. The alternating current fluctuations of charge and currents within the molecule and the metallic leads were observed. It was found that the fluctuations form the complex impedance of the molecule and are especially strong at the plasmon frequency of the leads.

Original languageEnglish (US)
Pages (from-to)3387-3396
Number of pages10
JournalJournal of Chemical Physics
Volume120
Issue number7
DOIs
StatePublished - Feb 15 2004

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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