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作者:

Yang, Wei (Yang, Wei.) | Wang, Ru-Zhi (Wang, Ru-Zhi.) (学者:王如志) | Wang, Yu-Fang (Wang, Yu-Fang.) | Song, Xue-Mei (Song, Xue-Mei.) | Wang, Bo (Wang, Bo.) (学者:王波) | Yan, Hui (Yan, Hui.)

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Scopus SCIE

摘要:

Using molecular-dynamics simulations and the force-constant model, we have studied the Raman-active tangential modes (TMs) of a (10,0) single-wall carbon nanotube under hydrostatic pressure. With increasing pressure, the atomic motions in the three TMs present obvious diversities. The pressure derivative of E-1g, A(1g), and E-2g mode frequencies shows an increased value (d omega(E1g)/dP>0), a constant value (d omega(A1g)/dP similar to 0), and a negative value (d omega(E2g)/dP < 0) above 5.3 GPa, respectively. The intrinsic characteristics of TMs consumedly help us understand the essence of the experimental T band of CNT. The anomalous pressure behavior of the TM frequencies may originate from the tube symmetry alteration from D-10h to D-2h then to C-2h.

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作者机构:

  • [ 1 ] Beijing Univ Technol, Lab Thin Film Mat, Beijing 100022, Peoples R China
  • [ 2 ] Nankai Univ, Dept Phys, Tianjin 300071, Peoples R China

通讯作者信息:

  • 王如志

    [Wang, Ru-Zhi]Beijing Univ Technol, Lab Thin Film Mat, Beijing 100022, Peoples R China

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来源 :

PHYSICAL REVIEW B

ISSN: 1098-0121

年份: 2007

期: 3

卷: 76

3 . 7 0 0

JCR@2022

ESI学科: PHYSICS;

JCR分区:1

被引次数:

WoS核心集被引频次: 13

SCOPUS被引频次: 13

ESI高被引论文在榜: 0 展开所有

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