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Spin-flip effect on transport properties of a Mn-3 molecule

Author:
Hao, Hua  Zheng, XiaoHong  Wang, RuiNing  Zeng, Zhi  Lin, H. Q.  


Journal:
JOURNAL OF APPLIED PHYSICS


Issue Date:
2012


Abstract(summary):

Electron transport through a single-molecule magnet [NEt4](3)[Mn3Zn2(salox)(3)O(N-3)(6)Cl-2] 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. (C) 2012 American Institute of Physics. [doi:10.1063/1.3670984]


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