Effects of gold contacts on transport through benzene molecule
A.A. Farajian, R.V. Belosludov, H. Mizuseki, and Y. Kawazoe
Institute for Materials Research, Tohoku University, JP
Keywords: molecular device, nanoelectronics, electrode characterization
Miniaturization of electronic devices has resulted in intensive interest in molecular devices that basically consist of a group of a few atoms, in contrast to the previous ‘bulk’ materials. As the molecules that are to be used as the main functional part of the molecular devices are typically a few angstroms in size, a natural question arises here, namely when these tiny building blocks are attached to the electrodes, how would their main characters of interest depend on the actual arrangement of the atoms in the electrode.
The results of the calculations, clearly show that the actual model used for the contacts plays a crucial role in transport calculations. They also show that in the strong coupling case of attaching the organic molecule to the electrodes via sulfur clips, the exact position of sulfur atoms relative to the atomic structure of the electrodes is a vital parameter in determining the transport results.
NSTI Nanotech 2003 Conference Technical Program Abstract