...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Physica status solidi, B. Basic research >Phonon dispersion of small diameter semiconducting chiral carbon nanotubes - a theoretical study
【24h】

Phonon dispersion of small diameter semiconducting chiral carbon nanotubes - a theoretical study

机译：小直径半导体手性碳纳米管的声子分散-理论研究

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

We present first principles calculations on the phonon dispersion of a large number of small diameter chiral single walled carbon nanotubes. The use of density functional theory for unit cells containing hundreds of atoms was only possible because the helical symmetry was taken into account explicitly in our frequency calculations. The results can be useful for interpretation of experiments, especially on CoMoCat tubes, but also on HiPCo tubes and the inner walls of double walled carbon nanotubes. The phonon dispersions of several larger diameter tubes have also been calculated for comparison. A clear phonon softening with decreasing diameter has been observed for the D and W-bands. (C) 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
机译：我们提出了关于大量小直径手性单壁碳纳米管的声子扩散的第一性原理计算。对于包含数百个原子的晶胞，只能使用密度泛函理论，因为在我们的频率计算中明确考虑了螺旋对称性。该结果可用于解释实验，特别是在CoMoCat管上，在HiPCo管和双壁碳纳米管的内壁上也是如此。还计算了几个较大直径管子的声子色散以进行比较。对于D和W波段，观察到直径逐渐减小的清晰声子软化。 （C）2008 WILEY-VCH Verlag GmbH＆Co.KGaA，Weinheim

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号