ELECTRONIC-STRUCTURE OF INXNA60-X FULLERENES

The electronic properties of the InxNa60-x (x = 1, ..., 60) fullerenes are studied by using a sp Hubbard-like tight-binding Hamiltonian in t he unrestricted Hartree-Fock approximation. In particular, we discuss the stability the of the fullerenes In-70, In-74, In-78 and In48Na12 s ince they are very likely to occur in the hexagonal phases of the tern ary compounds Na(96)In(97)Z(2) and Na(172)In(197)Z(2) (Z=nickel, palla dium, or platinum). Moreover, We determine the electronic structure an d stability of In-20, In-60, In-240, In-540 and several geometrical ar rangements of In48Na12 having all spherical shape. Cylindrical shape l ike structures In-80, In-110, In-160, and In-260 have also been consid ered. The relation between the calculated electronic properties and th e fullerene geometry is analyzed. The perspectives of extensions of th is study are also briefly discussed.