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Volumn 65, Issue 16, 2002, Pages 1-4

Symmetry-driven phase transformations in single-wall carbon-nanotube bundles under hydrostatic pressure

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EID: 85038298559     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.65.161402     Document Type: Article
Times cited : (1)

References (19)
  • 4
    • 6744229785 scopus 로고    scopus 로고
    • J. Tang.L.-C. Qin, T. Sasaki, M. Yudasaki, A. Matsushita, and S. Iijima, Phys. Rev. Lett. 85, 1887 (2000).
    • (2000) Phys. Rev. Lett. , vol.85 , pp. 1887
    • Tang, J.1
  • 11
    • 85038335414 scopus 로고    scopus 로고
    • It is possible that in (10,10) bundles, there are distortions in the structure that could lead to more than one nanotube per cell. However, in order to keep the calculations to a manageable level, only one nanotube per cell is considered
    • It is possible that in (10,10) bundles, there are distortions in the structure that could lead to more than one nanotube per cell. However, in order to keep the calculations to a manageable level, only one nanotube per cell is considered.
  • 12
    • 6444244907 scopus 로고    scopus 로고
    • A. Thess, et al., Science 273, 483 (1996).
    • (1996) Science , vol.273 , pp. 483
    • Thess, A.1
  • 16
    • 85038324394 scopus 로고    scopus 로고
    • Initial calculations were done in GGA with 7 k points, which showed structural transformation. Calculations between 0 and 2 GPa were repeated with 29 k points and these results are given in the figures. LDA calculations are done with 15 k points. The general conclusions are insensitive to the number of k points used
    • Initial calculations were done in GGA with 7 k points, which showed structural transformation. Calculations between 0 and 2 GPa were repeated with 29 k points and these results are given in the figures. LDA calculations are done with 15 k points. The general conclusions are insensitive to the number of k points used.


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