Cuniberti, Gianaurelio and Gutiérrez, Rafael and Fagas, Giorgos and Grossmann, Frank and Richter, Klaus and Schmidt, Rüdiger (2002) Fullerene based devices for molecular electronics. Physica E 12 (1-4), pp. 749-752.
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We have investigated the electronic properties of a C60 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 C60 molecule and to the local density of states of the leads, respectively.
|Institutions:|| Physics > Institute of Theroretical Physics > Retired Professors > Group Gianaurelio Cuniberti|
Physics > Institute of Theroretical Physics > Chair Professor Richter > Group Klaus Richter
|Keywords:||Fullerene; Electric transport|
|Subjects:||500 Science > 530 Physics|
|Refereed:||Yes, this version has been refereed|
|Created at the University of Regensburg:||Yes|
|Deposited On:||20 Mar 2007|
|Last Modified:||20 Jul 2011 20:58|