期刊
NANOSCALE RESEARCH LETTERS
卷 5, 期 7, 页码 1144-1149出版社
SPRINGER
DOI: 10.1007/s11671-010-9617-y
关键词
Carbon nanotube; Transverse electric field; Structural deformation; Electronic structure; Density functional theory
资金
- Innovation Fund for Postgraduates of Jiangsu University [CX08B_15x]
- National Natural Science Foundation of China [50775101]
- New Century Excellent Talents [NCET-04-0515]
The deformation of armchair single-walled carbon nanotube under transverse electric field has been investigated using density functional theory. The results show that the circular cross-sections of the nanotubes are deformed to elliptic ones, in which the tube diameter along the field direction is increased, whereas the diameter perpendicular to the field direction is reduced. The electronic structures of the deformed nanotubes were also studied. The ratio of the major diameter to the minor diameter of the elliptic cross-section was used to estimate the degree of the deformation. It is found that this ratio depends on the field strength and the tube diameter. However, the field direction has little role in the deformation.
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