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

» presentations   » 2001.07.30-03(08)

Fullerene based devices for molecular electronics

 G. Cuniberti  R. Gutiérrez, G. Fagas, F. Großmann, K. Richter, and R. Schmidt

14th International Conference on the Electronic Properties of Two-Dimensional Systems (EP2DS-14)

2001.07.30-03(08); Prague, Czech Republic

We investigate the electronic properties of a C60 molecule in between carbon nanotube leads. This problem has been tackled within a quantum chemical approach utilizing a density functional theory-based LCAO approach combined with the Landauer formalism. Owing to low-dimensionality, electron transport is very sensitive to the strength and geometry of interfacial bonds, and also to the profile of wave functions transverse to the transport direction. The dependence of the transport properties on the orientation of the C60 molecule has been investigated. Molecular contact between interfacial atoms and electrodes gives rise to a complex conductance dependence on the electron energy exhibiting spectral features of both the molecule and electrodes. These are attributed to the electronic structure of the C60 molecule and to the local density of states of the leads, respectively. Variation of the coupling strength between the molecule and the leads gives rise to a non-monotonic behaviour of molecular resonances in the conductance spectrum.

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