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.

引用

页数：4

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