层间耦合对多壁碳纳米管电子结构的影响

研究了耦合效应对多壁碳纳米管电子结构的影响.采用π-轨道紧束缚模型.计算结果表明，层间耦合使多壁碳纳米管的能带分裂，能级简并度降低，同时使多壁碳纳米管的带隙减小，小的带隙确保了每层中都存在振动模式，多数激发态电子通过相邻管的快速振动转化能量而产生无辐射跃迁，使其荧光很难观察到.

Effect of Intershell Coupling on Electronic Structure of Multiwalled Carbon Nanotubes

Electronic structure of multiwalled carbon nanotubes have been investigated as a function of the(intershell) coupling effect.The tight-binding model was employed.Theoretically,the intershell coupling makes energy bands of multiwalled carbon nanotubes split and the degeneracies in the energy bands reduced,and the bandgaps of multiwalled carbon nanotubes decreased.The small bandgaps of multiwalled carbon nanotubes(ensure) the presence of a vibrational manifold in the optical region for each shell so as to minimize optical(emission).