Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
10714189 | Physica B: Condensed Matter | 2012 | 7 Pages |
Abstract
The transport properties of the cage-like molecule depend on its orientation between the electrodes, but the investigation on the mechanism has not been found. Using first-principle density-functional theory (DFT) and non-equilibrium Green's function (NEGF) formalism for quantum transport calculation, we study the electronic transport properties of C24 fullerene molecule with different orientations in Au-C24-Au two-probe system. The effects of k-point sampling on the Brillouin zone are explored. Our results show that the negative differential resistance of C24 molecule is found in such a system and can be tuned by the molecule's orientation in the two-probe system. We also proposed a mechanism for it. The I-V characteristic under bias voltage is determined. The present findings could be helpful for the application of the C24 molecule in the field of single molecular devices or nanometer electronics.
Keywords
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Condensed Matter Physics
Authors
Wen-Kai Zhao, Chuan-Lu Yang, Jing-Fen Zhao, Mei-Shan Wang, Xiao-Guang Ma,