中国物理B ›› 2001, Vol. 10 ›› Issue (6): 531-536.doi: 10.1088/1009-1963/10/6/313
胡慧芳1, 周维亚2, 唐东升2, 李义兵3
Hu Hui-fang (胡慧芳)ab, Li Yi-bing (李义兵)b, Zhou Wei-ya (周维亚)c, Tang Dong-sheng (唐东升)c
摘要: The features of energetics and electronic properties of carbon nanotubes, containing a pentagon-heptagon pair (5/7) topological defect in the hexagonal network of the zigzag configuration, are investigated using the extended Su-Schriffer-Heeger model based on the tight binding approximation in real space. Our calculations show that this pentagon-heptagon pair defect in the nanotube structures is not only responsible for a change in nanotube diameter, but also governs the electronic behaviour around Fermi level. Furthermore, we have calculated the densities of states of the (9,0)-(8,0) and (8,0)-(7,0) systems. For the (9,0)-(8,0) system, a narrow gap exists in the vicinity of the Fermi energy. In contrast, for the (8,0)-(7,0) system, a little peak of the density of states occurs at the Fermi energy. These can be attributed to the addition of a pair of pentagon-heptagon defects in the interface between two isolated carbon nanotubes.
中图分类号: (Electronic structure of nanoscale materials and related systems)