Abstract
The electronic and magnetic properties of Si and Ge doped C-60 fullerene are investigated with ab initio density functional theory calculations. In endohedral Si (n=1-10) and Ge-n (1-9) doped C-60 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 C-60. Endohedral fullerenes have been found to be more chemically reactive. Mullikan charge analysis shows the presence of the magnetic moment in these systems. (C) 2013 Elsevier B.V. All rights reserved