Abstract

Focusing on the framework of how to realize the molecular spintronics in a single molecular magnet, we present theoretical studies on the spin-polarized quantum transport behavior through a single Mn12 molecular magnet. Our theoretical results were obtained by carrying out density functional theoretical calculation within the Keldysh nonequilibrium Green function formalism. The ultimate goal of the molecular spintronics is to develop single molecule transistors which generate spin-polarized currents through the molecular magnet. We obtained the densityof states, the transmission coefficients and the characteristic features of the current–voltage (I–V) on the spin-polarized transport properties of Mn12 by the theoretical calculation. These results show the possibility for the realization of molecular spintroinics using single molecular magnets.

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