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
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.
(Density functional theory, local density approximation, gradient and other corrections)
引用本文:
. [J]. 中国物理快报, 2014, 31(06): 67302-067302.
WU Qiu-Hua, ZHAO Peng, LIU De-Sheng. A First-principles Study of Spin-polarized Transport Properties of a Co-coordination Complex. Chin. Phys. Lett., 2014, 31(06): 67302-067302.
2014, Vol. 31 
