期刊论文

Deng, X. Q.;Zhang, Z. H.

英文

Organic Electronics

1566-1199

2016

35

1-5

10.1016/j.orgel.2016.04.033

This work was supported by the National Natural Science Foundation of China (Grant Nos. 61371065 , 51302022 ), the Hunan Provincial Natural Science Foundation of China (Grant No 2015JJ3002 , 2015JJ2009 , 2015JJ2013 ), the Scientific Research Fund of Hunan Provincial Education Department (Grant No. 14A013 ).

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Based on the non-equilibrium Green's function method combined with the density functional theory, the spin transport properties of an iron-phthalocyanine (FePc) molecule connected to two Au electrodes by carbon chains are investigated, and three kinds of connecting position between FePc molecule and carbon chains are considered. It is found that the spin filtering effect and the negative differential resistance (NDR) behavior in these systems can be achieved in the calculated bias region. However, the efficiency and the bias region of spin filt...