Low-temperature phase transformation from nanotube to sp3superhard carbon phase

Ning Xu, Jian Fu Li, Bolong Huang, Bao Lin Wang

Research output: Journal article publicationJournal articleAcademic researchpeer-review

1 Citation (Scopus)

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 B0of 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.
Original languageEnglish
Article number066102
JournalChinese Physics B
Volume24
Issue number6
DOIs
Publication statusPublished - 1 Jun 2015
Externally publishedYes

Keywords

  • low-temperature phase transformation
  • superhard carbon phase

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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