| Phonon dispersion relations and soft modes of 4 carbon nanotubes |
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| 引用本文： | 缪灵,刘惠军,胡懿,周详,胡承正,石兢.Phonon dispersion relations and soft modes of 4 carbon nanotubes[J].中国物理 B,2010(1):426-430. |
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| 作者姓名： | 缪灵 刘惠军 胡懿 周详 胡承正 石兢 |
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| 作者单位： | [1]Department of Physics and Key Laboratory of Acoustic and Photonic Materials and Devices （Ministry of Education）, Wuhan University, Wuhan 430072, China [2]Department of Electronic Science and Technology, Huazhong University of Science and Technology, Wuhan 430074, China |
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| 基金项目： | Project supported by the National Natural Science Foundation of China （Grant No. 10504025）, the National Key Basic Research Program of China （Grant No. 2007CB607501）, and the Natural Science Foundation for Distinguished Young Scholars of Hubei Province, China. |
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| 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.
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| 关 键 词： | phonon dispersion relations density functional theory carbon nanotubes |
Phonon dispersion relations and soft modes of 4 A carbon nanotubes |
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| Miao Ling,Liu nui-Jun,Hu Yi,Zhou Xiang,Hu Cheng-Zheng,Shi Jing.Phonon dispersion relations and soft modes of 4 A carbon nanotubes[J].Chinese Physics B,2010(1):426-430. |
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| Authors: | Miao Ling Liu nui-Jun Hu Yi Zhou Xiang Hu Cheng-Zheng Shi Jing |
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| Institution: | (a. Department of Physics and Key Laboratory of Acoustic and Photonic Materials and Devices (Ministry of Education), Wuhan University, Wuhan 430072, China; b. Department of Electronic Science and Technology, Huazhong University of Science and Technology, Wuhan 430074, China) |
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| Abstract: | phonon dispersion relations, density functional theory, carbon nanotubes |
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| Keywords: | phonon dispersion relations density functional theory carbon nanotubes |
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