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- W2057573786 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." @default.
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- W2057573786 date "2012-06-01" @default.
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- W2057573786 title "A theoretical study of spin-polarized transport properties of planar four-coordinate Fe complexes" @default.
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- W2057573786 doi "https://doi.org/10.1016/j.cplett.2012.05.002" @default.
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