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- W2028047771 abstract "Electron transport through a single-molecule magnet [NEt4]3[Mn3Zn2(salox)3O(N3)6Cl2] is investigated by spin-polarized density functional theory combined with the Keldysh nonequilibrium Green’s function technique. Our study demonstrates that spin-filtering effect and negative differential resistance exist in the ground state of this molecule. When the magnetic state of the molecule is changed from its ground state to the spin-flip state, substantial changes are induced not only in energy levels of the molecule, but also in the coupling of molecular states with eigenstates of Ag(100) nano-electrodes, which lead to the disappearance of spin-filtering effect and negative differential resistance." @default.
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- W2028047771 date "2012-02-10" @default.
- W2028047771 modified "2023-10-17" @default.
- W2028047771 title "Spin-flip effect on transport properties of a Mn3 molecule" @default.
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- W2028047771 doi "https://doi.org/10.1063/1.3670984" @default.
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