Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/96121
Title: A theoretical study of spin-polarized transport properties of planar four-coordinate Fe complexes
Authors: Huang, Jing
Wang, Weiyi
Yang, Shangfeng
Su, Haibin
Li, Qunxiang
Yang, Jinlong
Issue Date: 2012
Source: Huang, J., Wang, W., Yang, S., Su, H., Li, Q., & Yang, J. (2012). A theoretical study of spin-polarized transport properties of planar four-coordinate Fe complexes. Chemical Physics Letters, 539-540, 102-106.
Series/Report no.: Chemical physics letters
Abstract: We present a first-principles study of the spin-polarized transport properties of three planar four-coordinate Fe complexes with different noninnocent ligands sandwiched between two armchair (5,5) single-walled carbon nanotube (SWCNT) electrodes. Theoretical results clearly reveal that the current of the spin-up electrons through three examined molecular junctions is significant larger than that of the spin-down electrons. The low bias conductance is determined by the tail of transmission peak coming from the perturbed lowest unoccupied molecular orbital of the spin-up electrons. The high spin-filter efficiencies (up to 99.0%) are predicted for three planar four-coordinate Fe complexes coupled to SWCNTs.
URI: https://hdl.handle.net/10356/96121
http://hdl.handle.net/10220/10810
ISSN: 0009-2614
DOI: http://dx.doi.org/10.1016/j.cplett.2012.05.002
Rights: © 2012 Elsevier B.V.
Fulltext Permission: none
Fulltext Availability: No Fulltext
Appears in Collections:MSE Journal Articles

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