Abstract
Gate voltage effect on electronic transport through the smallest single-molecule magnet (SMM) MnCu [MnIIICuIICl(5-Br-sap)2(MeOH)] sandwiched between Au(100) electrodes is investigated by spin-polarized density functional theory calculations combined with the Keldysh nonequilibrium Green’s technique. Our study demonstrates that a certain gate voltage can induce a switching of the conductance in the equilibrium state. Under a finite bias voltage, negative differential resistance is observed in this system and can be modulated by tuning the gate voltage. More interestingly, current rectification can be achieved at a certain negative gate voltage. These effects can be understood by the responses of the benzene rings and the magnetic core to an external electrical field.
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