First-principle study of the electronic transport properties of a new dumbbell-like carbon nanocomposite |
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Authors: | P Zhao DS Liu |
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Institution: | 1. School of Physics and Technology, University of Jinan, Jinan 250022, China;2. School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, China;3. Department of Physics, Jining University, Qufu 273155, China |
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Abstract: | Using a first-principle density functional theory and non-equilibrium Green's function formalism for quantum transport calculation, we have investigated the electronic transport properties of a new dumbbell-like carbon nanocomposite, in which one carbon nanotube segment is capped with two C60 fullerenes. Our results show that the current–voltage curve reveals a highly nonlinear feature. A negative differential resistance (NDR) behavior is obtained at a very low bias, which is expected to be helpful for the development of low bias NDR-based molecular devices. Moreover, the carbon nanotube length and fullerene type can affect the NDR behavior strongly. The electronic transport is analyzed from the transmission spectra and the molecular projected self-consistent Hamiltonian states under different applied biases. |
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Keywords: | Fullerene Non-equilibrium Green's function Electronic transport Negative differential resistance |
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