摘要
考虑卷曲效应 ,构造了扶手形单壁碳纳米管环的单π轨道紧束缚模型 .利用波函数分解方法导出了原子间相互作用矩阵元 ,由此研究了扶手形碳纳米管环的电子性质 .随环半径改变 ,观察到电子结构发生从离散谱到连续谱之间的转变 .计算也表明随管半径改变 。
Taken into account the curvature effects,we build a single-π orbital tight-binding model for armchair toroidal carbon nanotubes, from which the interaction matrix elements have been derived by means of the wavefunction decomposition method. The electronic structures of armchair toroidal carbon nanotubes are studied, which are dependent on both the torus radius and the tube radius. The energy spectral transition is observed from the discrete to continuous ones, as the torus radius and the tube radius are varied.
出处
《物理学报》
SCIE
EI
CAS
CSCD
北大核心
2004年第10期3472-3476,共5页
Acta Physica Sinica
基金
国家 973计划项目 (批准号 :1999 0 64 5 45 0 0 )
湖南省中青年科技基金 (批准号 :0 0JZY2 13 8)
湖南省教育厅重点项目和青年项目 (批准号 :0 3A0 46和 0 3B0 3 9)资助的课题
