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题名: Pressure-induced Raman-active radial breathing mode transition in single-wall carbon nanotubes
作者: Yang W;  Wang RZ;  Song XM;  Wang B;  Yan H
发表日期: 2007
摘要: Using classical constant-pressure molecular dynamics simulations and the force constants model, radial breathing mode (RBM) transition of single-wall carbon nanotubes under hydrostatic pressure is reported. With the pressure increased, the RBM shifts linearly toward higher frequency, and the RBM transition occurs at the same critical pressure as the structural transition. The group theory indicates that the RBMs are all Raman-active; however, due to the effect of the frequency transition and the electronic structure change for tube radial deformation, the Raman intensity of the modes becomes so weak as not to be experimentally detected, which is in agreement with a recent experiment by S. Lebedkin [Phys. Rev. B 73, 094109 (2006)]. Furthermore, the calculated RBM transition pressure is well fitted to the cube of diameter (similar to 1/d(3)).
KOS主题词: molecular vibration in solids
刊名: PHYSICAL REVIEW B
专题: 中国科学院半导体研究所(2009年前)_期刊论文

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推荐引用方式:
Yang, W (Yang, W.); Wang, RZ (Wang, R. Z.); Song, XM (Song, X. M.); Wang, B (Wang, B.); Yan, H (Yan, H.) .Pressure-induced Raman-active radial breathing mode transition in single-wall carbon nanotubes ,PHYSICAL REVIEW B,JAN 2007 ,75 (4):Art.No.045425
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