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TU Dresden » Faculty of Mechanical Science and Engineering » Institute for Materials Science » Chair of Materials Science and Nanotechnology

» presentations   » 2009.03.25

Control of the Conductance in Molecular Switch Junctions (TT 23.11)

D. Nozaki, C. Toher, F. Pump, and G. Cuniberti

DPG-Frühjahrstagung der Sektion Kondensierte Materie (SKM)
DPG Spring Meeting of the Section Condensed Matter (SKM)

2009.03.25; (HSZ 105) Dresden, Germany

We explore the usability of molecules with bistable characteristics as reversibly tunable molecular switches driven by external stimulation such as light [1] or current-pulse [2]. We have modeled three molecular switch-junctions formed with silicon contacts and azobenzene derivatives which have bistable cis-and trans-conformations. Using the nonequilibrium Green?s function approach implemented with the density-functional-based tight-binding theory [3], we analyzed electron transmission, on/off ratios, potential energy surfaces along reaction coordinate from cis-to trans-conformation, and the stability of the molecular switches in ambient conditions along MD pathways. The numerical results have shown that transmission spectra in cis-conformations are more conductive than trans-ones inside of the bias window in three models. I-V characteristics also lead to the same trends. Additionally, the transmission along MD pathways have shown that the cis-conformations are always more conductive than trans-ones at room temperature. Therefore, the azobenzene derivative-based molecular switches can be expected to work as robust switching components.

[1] M. del Valle et al., Nature Nanotech. 2, 176 (2007).
[2] H. Riel et al., Small, 2, 973 (2006).
[3] A. Pecchia et al., Rep. Prog. Phys. 67, 1497 (2004).

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