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The phonon dispersion relations of three kinds of 4 carbon nanotubes are calculated by using the density functional perturbation theory. It is found that the frequencies of some phonon modes are very sensitive to the smearing width used in the calculations, and eventually become negative at low electronic temperature. Moreover, two kinds of soft modes are identified for the (5,0) tube which are quite different from those reported previously. Our results suggest that the (5,0) tube remains metallic at very low temperature, instead of the metallic-semiconducting transition claimed before. 相似文献
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应用慢正电子束多普勒展宽技术研究了纯Al和AA2037铝合金与腐蚀相关的缺陷.慢正电子束多普勒展宽测量是通过改变正电子的能量,测量正电子湮没的多普勒展宽谱,分析得到了不同正电子能量的S参数和S-E曲线,然后对S-E曲线进行了分析和处理以得到材料表面及近表面的缺陷真实分布.实验结果表明,纯Al与在1mol/LNaOH溶液中腐蚀引起了纳米尺度界面缺陷的产生,导致S参数明显上升;而水淬AA2037铝合金腐蚀后引起S参数明显下降,其原因可能是Cu在氧化层与基体界面富集.通过原子力显微镜(AFM)观察证实了纯Al样品表面经过腐蚀后有大量几百纳米大小的孔洞产生,而AA2037铝合金中只有少量的孔洞产生. 相似文献
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The phonon dispersion relations of three kinds of 4~?
carbon nanotubes are calculated by using the density functional
perturbation theory. It is found that the frequencies of some phonon
modes are very sensitive to the smearing width used in the
calculations, and eventually become negative at low electronic
temperature. Moreover, two kinds of soft modes are identified for
the (5,0) tube which are quite different from those reported
previously. Our results suggest that the (5,0) tube remains metallic
at very low temperature, instead of the metallic-semiconducting
transition claimed before. 相似文献
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