Journal
PHYSICA B-CONDENSED MATTER
Volume 406, Issue 11, Pages 2138-2142Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.physb.2011.03.016
Keywords
Transport properties; NEGF-DFT; C-60; CNT
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Funding
- National Natural Science Foundation of China [NSFC 20621091, J0730429]
- Chunhui project
- 111 project
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By applying non-equilibrium Green's functions in combination with density-functional theory, we investigate electronic transport properties of C-60 coupled to carbon nanotubes and Li electrodes. The results show that electronic transport properties of CNT-C-60-CNT and Li-C-60-Li systems are completely different. Nonlinear I-V characteristic, varistor-type behavior and negative differential resistance (NDR) phenomenon are observed when electrodes are carbon nanotubes. We discuss the mechanism of I-V characteristics of CNT-C-60-CNT systems in details. Our results suggest conductance, energy level of Frontier molecular orbitals, energy gap between HOMO and LUMO, the coupling between molecular orbitals and electrodes are all playing critical roles in electronic transport properties. (C) 2011 Elsevier B.V. All rights reserved.
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