Abstract
The transport properties of a single ferrocene molecule have been investigated using the nonequilibrium Green's function formalism for quantum transport and the density functional theory (DFT) of electronic structures using local orbital basis sets. The conductance of a single ferrocenedithiolate molecule depends on the position of the sulfur atoms. The current-voltage characteristics show that the iron atom enhances the conductivity of the ferrocene molecule compared with all-organic molecules.
Original language | English |
---|---|
Pages (from-to) | 3768-3771 |
Number of pages | 4 |
Journal | Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers |
Volume | 45 |
Issue number | 4 B |
DOIs | |
Publication status | Published - 2006 Apr 25 |
Keywords
- DFT method
- Electron transport
- Ferrocene
- Nonequilibrium Green's function technique
ASJC Scopus subject areas
- Engineering(all)
- Physics and Astronomy(all)