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

doi:10.1088/1674-1056/24/6/066102

Abstract

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 (B₀). The predicted B₀ 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 sp³-hybridized electronic states. The simulated results will help us better understand the structural phase transition of cold-compressed carbon nanotubes.

Keywords: low-temperature phase transformation superhard carbon phase

Received: 11 November 2014
Revised: 14 January 2015
Accepted manuscript online:

PACS:	61.66.Bi	(Elemental solids)
	61.50.Ks	(Crystallographic aspects of phase transformations; pressure effects)
	62.50.-p	(High-pressure effects in solids and liquids)
	78.30.Am	(Elemental semiconductors and insulators)

Fund:

Project supported by the National Natural Science Foundation of China (Grant Nos. 11174242, 11204265, 11404278, 11147007, and 11274151), the Natural Science Foundation of Jiangsu Province, China (Grant No. BK2012248), and the Scientific Research Foundation of Yancheng Institute of Technology, China (Grant No. KJC2014024).

Corresponding Authors: Xu Ning, Wang Bao-Lin
E-mail: nxu@ycit.cn;wangbl@ycit.edu.cn

About author: 61.66.Bi; 61.50.Ks; 62.50.-p; 78.30.Am

Cite this article:

Xu Ning (徐宁), Li Jian-Fu (李建福), Huang Bo-Long (黄勃龙), Wang Bao-Lin (王保林) Low-temperature phase transformation from nanotube to sp³ superhard carbon phase 2015 Chin. Phys. B 24 066102

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[1]	A new family of sp³-hybridized carbon phases Ning Xu(徐宁), Jian-Fu Li(李建福), Bo-Long Huang(黄勃龙), Bao-Lin Wang(王保林). Chin. Phys. B, 2016, 25(1): 016103.

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