Spin-filtering and switching effects of a single-molecule magnet Mn(dmit)2

被引：14
作者：
An, Yipeng
Yang, Zhongqin [1 ]
机构：
[1] Fudan Univ, State Key Lab Surface Phys, Shanghai 200433, Peoples R China
来源：
JOURNAL OF APPLIED PHYSICS | 2012年 / 111卷 / 04期
基金：
中国国家自然科学基金;
关键词：
GENERALIZED GRADIENT APPROXIMATION; JUNCTION CONDUCTANCE; DMIT; SPINTRONICS; DEPENDENCE; COMPLEXES; SURFACES; TORSION; WIRES;
D O I：
10.1063/1.3686722
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
We investigated spin-dependent transport properties of a single-molecule magnet Mn(dmit)(2) with a coplanar or perpendicular conformation using first-principles density functional theory combined with nonequilibrium Green's function method. It was found that the current flowing through the junction comprised of two Au leads and a Mn(dmit)(2) molecule is high spin-polarized, up to a high efficiency of 82%, if the two ligands of the molecule are orientated in the same plane. The current is strongly suppressed when a ligand is rotated and perpendicular to the other. These results suggest that Mn(dmit)(2) is a potential candidate for spin filters or molecular switches. (C) 2012 American Institute of Physics. [doi:10.1063/1.3686722]
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页数：6
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