Phonon dispersion relations and soft modes of 4 carbon nanotubes

被引：0

作者：

缪灵 ^{[1
,2
]}

刘惠军 ^{[1
]}

胡懿 ^{[1
]}

周详 ^{[1
]}

胡承正 ^{[1
]}

石兢 ^{[1
]}

机构：

[1] Department of Physics and Key Laboratory of Acoustic and Photonic Materials and Devices (Ministry of Education),Wuhan University

[2] Department of Electronic Science and Technology,Huazhong University of Science and Technology

来源：

Chinese Physics B | 2010年 / 19卷 / 01期

基金：

中国国家自然科学基金;

关键词：

phonon dispersion relations; density functional theory; carbon nanotubes;

D O I：

暂无

中图分类号：

TB383.1 [];

学科分类号：

摘要：

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.

引用

页码：426 / 430

页数：5

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