Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/95241
Title: Iron-phthalocyanine molecular junction with high spin filter efficiency and negative differential resistance
Authors: Huang, Jing
Xu, Ke
Lei, Shulai
Su, Haibin
Yang, Shangfeng
Li, Qunxiang
Yang, Jinlong
Keywords: DRNTU::Engineering::Materials::Mechanical strength of materials
Issue Date: 2012
Source: Huang, J., Xu, K., Lei, S., Su, H., Yang, S., Li, Q., et al. (2012). Iron-phthalocyanine molecular junction with high spin filter efficiency and negative differential resistance. The Journal of Chemical Physics, 136(6), 064707.
Series/Report no.: The Journal of chemical physics
Abstract: We investigate the spin transport properties of iron-phthalocyanine (FePc) molecule sandwiched between two N-doped graphene nanoribbons (GNRs) based on the density functional theory and nonequilibrium Green's function methods. Our calculated results clearly reveal that the FePc molecular junction has high spin-filter efficiency as well as negative differential resistance (NDR). The zero-bias conductance through FePc molecule is dominated by the spin-down electrons, and the observed NDR originates from the bias-dependent effective coupling between the FePc molecular orbitals and the narrow density of states of electrodes. The remarkable high spin-filter efficiency and NDR are robust regardless of the edge shape and the width of GNRs, and the N-doping site in GNRs. These predictions indicate that FePc junction holds great promise in molecular electronics and spintronics applications.
URI: https://hdl.handle.net/10356/95241
http://hdl.handle.net/10220/9314
ISSN: 0021-9606
DOI: 10.1063/1.3684551
Schools: School of Materials Science & Engineering 
Rights: © 2012 American Institute of Physics. This paper was published in The Journal of Chemical Physics and is made available as an electronic reprint (preprint) with permission of American Institute of Physics. The paper can be found at the following official DOI: [http://dx.doi.org/10.1063/1.3684551]. One print or electronic copy may be made for personal use only. Systematic or multiple reproduction, distribution to multiple locations via electronic or other means, duplication of any material in this paper for a fee or for commercial purposes, or modification of the content of the paper is prohibited and is subject to penalties under law.
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:MSE Journal Articles

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