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The relaxed geometry of an endohedral fullerene Co@C60 dimer junction. The gray, pink, and yellow spheres represent C, Co, and Au atoms, respectively. The effect of the gate voltage, VG , is to shift the molecular orbitals relative to the Fermi level of the gold electrodes.
Calculated carbon atoms TDOS per site vs. electron energy ϵ for the endohedral fullerene Co@C60 dimer at various gate voltages: (a) , (b) , and (c) . The symbol ( ) corresponds to spin-up (spin-down) electrons. The vertical dotted lines indicate the position of the Fermi level. All states up to the Fermi level are occupied (shaded in the plot).
Degree of density of states spin polarization P at the Fermi energy as a function of gate voltage. The arrows show the positions of the first maxima of spin polarization with varying gate voltage.
Calculated spin-dependent electric currents [(a) and (b)], current spin polarization PI (c), and differential conductances [(d) and (e)] vs bias voltage for the Au/Co@C60-dimer/Au junction, shown in Fig. 1 , at various VG values.
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