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Current-Voltage Characteristics of Molecular Devices at Low Bias |
| LIAO Yun-Xing1,2;CHEN Hao1,2;R. Note3;H. Mizuseki3;Y. Kawazoe3 |
| 1National Key Laboratory of Surface Physics, Fudan University, Shanghai 200433
2Physics Department, Fudan University, Shanghai 200433
3Institute for Materials Research, Tohoku University, Sendai 980-8577, Japan |
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| Cite this article: |
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LIAO Yun-Xing, CHEN Hao, R. Note et al 2004 Chin. Phys. Lett. 21 1247-1250 |
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Abstract We use density functional theory and the Green function formalism with charge energy effect included in the self-consistent calculation of the I-V characteristics of a single benzene ring with an appendage of cf3, and identify some interesting properties of the I-V characteristics at low bias. The molecule picks up a fractional charge at zero bias, then the additional fractional charge produces a barrier on the junction of the molecule and contacts to perturb current flow on the molecule. This phenomenon may be useful for the design of future molecular devices.
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| Keywords:
31.15.Ar
73.23.-b
85.65.+h
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Published: 01 July 2004
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