Structural and electronic properties of C36

We carry out a first-principles and comparative study of structural and electronic properties of the two most stable-and equally stable-isomers of fullerene C-36. We find that the remarkable equivalence exhibited by the two isomers in what concerns their stability extends to many other electronic properties. However, their different geometric structure is responsible for sizeable differences in their vibrational spectra; as well we find that the quantization of electronic states around the Fermi level leads to a different distribution of strength for the low-energy electronic excitations. These features may contribute to a rich and distinct interplay between electrons and phonons in the bulk phase. (C) 2001 American Institute of Physics.