ELECTRONIC PROPERTIES OF CARBON NANOTUBES WITH A PENTAGON-HEPTAGON PAIR DEFECT
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
a Department of Fundamental Courses, Changsha Railway University, Changsha 410075, China; b Materials Research Institute, Changsha Railway University, Changsha 410075, China; c Institute of Physics and Center of Condensed Matter Physics, Chinese Academy of Sciences, Beijing 100080, China
Abstract 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.
Received: 26 December 2000
Revised: 06 February 2001
Accepted manuscript online:
PACS:
73.22.-f
(Electronic structure of nanoscale materials and related systems)
Fund: Project supported by the National Natural Science Foundation of China (Grant No. 69890227), by the Natural Science Foundation of Hunan Province, China (Grant No. 99JJY2083), and by the Fok Ying-Tong Foundation, Hong Kong, China.
Cite this article:
Hu Hui-fang (胡慧芳), Li Yi-bing (李义兵), Zhou Wei-ya (周维亚), Tang Dong-sheng (唐东升) ELECTRONIC PROPERTIES OF CARBON NANOTUBES WITH A PENTAGON-HEPTAGON PAIR DEFECT 2001 Chinese Physics 10 531
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