Theoretical investigation of endohedral complexes of Si and Ge with C60 molecule

The electronic and magnetic properties of Si and Ge doped C60 fullerene are investigated with ab initio density functional theory calculations. In endohedral Sin (n=1–10) and Gen (1–9) doped C60 complexes we have seen that Si and Ge doped complexes are stable up to 9 and 4 atoms, respectively. We have also investigated binding energy and ionization potential of the endohedral fullerene C60. Endohedral fullerenes have been found to be more chemically reactive. Mullikan charge analysis shows the presence of the magnetic moment in these systems.