Low-temperature phase transformation from nanotube to sp3 superhard carbon phase

被引：3
|
作者：
Xu Ning [1 ]
Li Jian-Fu [2 ]
Huang Bo-Long [2 ]
Wang Bao-Lin [1 ]
机构：
[1] Yancheng Inst Technol, Dept Phys, Yancheng 224051, Peoples R China
[2] City Univ Hong Kong, Dept Phys & Mat Sci, Hong Kong, Hong Kong, Peoples R China
来源：
CHINESE PHYSICS B | 2015年 / 24卷 / 06期
基金：
中国国家自然科学基金;
关键词：
low-temperature phase transformation; superhard carbon phase; ELECTRONIC-PROPERTIES; COLD COMPRESSION; HIGH-PRESSURE; FULLERENES; PRINCIPLES; SCHEMES; DIAMOND; C-60;
D O I：
10.1088/1674-1056/24/6/066102
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Numerous new carbon allotropes have been uncovered by compressing carbon nanotubes based on our computational investigation. The volume compression calculations suggest that these new phases have a very high anti-compressibility with a large bulk modulus (B-0). The predicted B-0 of new phases is larger than that of c-BN (373 GPa) and smaller than that of diamond (453 GPa). All of the predicted structures are superhard transparent materials with a larger band gap and possess the covalent characteristics with sp(3)-hybridized electronic states. The simulated results will help us better understand the structural phase transition of cold-compressed carbon nanotubes.
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页数：4
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