By developing the spV tight-binding model, we study the band spectrum feature of the cagelike structure such as carbon clusters, carbon nanotubes, BN nanotubes in this thesis.

• 本论文发展sp~3s~*紧束缚模型，着重研究笼状纳米结构如碳巴基球、碳纳米管、纳米氮化硼管的能谱特征。