Properties of Boron-Substituted Heterofullerenes

On the basis of a succinct description of geometrical configurations for giant fullerenes, the electronic properties and structural distortions of heterofullerenes C_N-1B ( N = 60,180,240,420,540,720,780) are analyzed by the extended Su-Schrieffer-Heeger model. In comparison with their pristine fullerenes C_N, local distortions and mid-gap states are found to occur in boron-doped giant fullerenes.