| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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A First-principles Study of Spin-polarized Transport Properties of a Co-coordination Complex |
| WU Qiu-Hua1, ZHAO Peng1**, LIU De-Sheng2,3 |
1School of Physics and Technology, University of Jinan, Jinan 250022
2School of Physics, Shandong University, Jinan 250100
3Department of Physics, Jining University, Qufu 273155
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| Cite this article: |
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WU Qiu-Hua, ZHAO Peng, LIU De-Sheng 2014 Chin. Phys. Lett. 31 067302 |
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Abstract Based on non-equilibrium Green's function formalism and density functional theory calculations, we investigate the spin-polarized transport properties of a Co-coordination complex between two gold electrodes, in which a Co ion is trapped between two 4-mercaptopyridine molecules. Our results demonstrate that the transmission spectra of the system show distinctive features in the spin-up and spin-down channels. Moreover, the current-voltage curves confirm that the system can exhibit robust spin-filtering effect at finite bias voltage, giving the system potential in molecular spintronics applications.
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Published: 26 May 2014
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| PACS: |
73.23.-b
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(Electronic transport in mesoscopic systems)
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85.65.+h
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(Molecular electronic devices)
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71.15.Mb
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(Density functional theory, local density approximation, gradient and other corrections)
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