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Fullerene based devices for molecular electronics

G. Cuniberti·R. Gutierrez·G. Fagas·F. Grossmann·K. Richter·R. Schmidt
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Abstract

We have investigated the electronic properties of a C_60 molecule in between carbon nanotube leads. This problem has been tackled within a quantum chemical treatment 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. 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 C_60 molecule and to the local density of states of the leads, respectively.

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G. Cuniberti, R. Gutierrez, G. Fagas, F. Grossmann, K. Richter, R. Schmidt. 2001-08-23. Fullerene based devices for molecular electronics. https://doi.org/10.1016/s1386-9477(01)00469-6

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