Extended SSH model approach to dopyballsC 58 B 2 andC 58 N 2

摘要: The Su-Schrieffer-Heeger (SSH) model has been extended to study electronic properties of DopyballsC 58 B 2 andC 58 N 2. It is proposed that self-consistent solutions for wave functions should satisfy some symmetry conditions even though the icosahedral symmetryC 60 lost by doping. present numerical results are compared with those obtained from a selfconsistent-field molecular-orbital (SCF-MO) method, most them being in good agreement each other. However, aC 58 B 2 isomer which twoB atoms on opposite sides cage, our result energy levels differs quite SCF-MO result. We discuss this difference viewpoint requirement.