Abstract
We propose a magnetic molecular junction consisting of a single-molecule magnet Fe4 connected two graphene electrodes and investigate transport properties, using the nonequilibrium Green's function method in combination with spin-polarized density-functional theory. The results show that the device can be used as a nearly perfect spin filter with efficiency approaching 100%. Our calculations provide crucial microscopic information how the four iron cores of the chemical structure are responsible for the spin-resolved transmissions. Moreover, it is also found that the device behaves as a highly efficient spin valve, which is an excellent candidate for spintronics of molecular devices. The idea of combining single-molecule magnets with graphene provides a direction in designing a new class of molecular spintronic devices.
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