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A new family of sp3-hybridized carbon phases

  • Ning Xu*
  • , Jian-Fu Li
  • , Bo-Long Huang
  • , Bao-Lin Wang
  • *Corresponding author for this work

    Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

    Abstract

    A new family of superhard carbon allotropes C48(2i +1) is constructed by alternating even 4 and 8 membered rings. These new carbon allotropes are of a spatially antisymmetrical structure, compared with the symmetrical structures of bct-C4, Z-carbon, and P-carbon. Our calculations show that bulk moduli of C48(2i +1) are larger than that of c-BN and smaller than that of cubic-diamond. C48(2i +1) are transparent superhard materials possessing large Vicker hardness comparable to diamond. This work can help us understand the structural phase transformations of cold-compression graphite and carbon nanotubes.

    Original languageEnglish
    Article number016103
    JournalChinese Physics B
    Volume25
    Issue number1
    Online published8 Dec 2015
    DOIs
    Publication statusPublished - Jan 2016

    Funding

    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).

    Research Keywords

    • low-temperature phase transformation
    • superhard carbon phase

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