Abstract
The models of new isotropic cubic crystals of single-layered carbon nanotubes are proposed. The structural, elastic, and electronic properties and the energies of formation of these crystals were calculated using the density functional-based tight binding (DFTB) method. The crystals proposed were found to exhibit extreme compression moduli (550–650 GPa) and a minimum compressibility (0.0018–0.0015 GPa−1); in this case, the type of conduction of the parent nanotubes was retained. For this reason, the above crystals are of interest for the development of new superhard materials with controllable electrophysical properties.
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References
M. Endo, H. Muramatsu, T. Hayashi, et al., Nature 433, 476 (2005).
Carbon Nanotubes, Ed. by M. S. Dresselhaus, G. Dresselhaus, and Ph. Avouris (Springer, Berlin, Heidelberg, 2001).
Carbon Nanomaterials, Ed. by Y. Gogotsi (Taylor and Francis Group, Boca Raton, London, New York, 2006).
J.-C. Charlier, X. Blase, and S. Roche, Rev. Mod. Phys. 79, 677 (2007).
H. Liang and M. Upmanyu, Phys. Rev. Lett. 94, 065502 (2005).
C. H. Sun, F. Li, C. Liu, and C. Q. Lu, Appl. Phys. Lett. 86, 203106 (2005).
M. Endo, H. Muramatsu, T. Hayashi, et al., Nature 433, 476 (2005).
Y. A. Kim, H. Muramatsu, T. Hayashi, et al., Chem. Vapor Deposit. 12, 327 (2006).
J. Tersoff and R. S. Ruoff, Phys. Rev. Lett. 73, 676 (1994).
A. N. Enyashin, S. Gemming, and G. Seifert, Nanotechnology 18, 245702 (2007).
S. Dag, R. T. Senger, and S. Ciraci, Phys. Rev. B 70, 205407 (2004).
V. R. Coluci, S. O. Dantas, A. Jorio, and D. S. Galvao, Phys. Rev. B 75, 075417 (2007).
J. M. Romo-Herrera, V. Terrones, H. Terrones, et al., Nano Lett. 7, 570 (2007).
L. Zhechkov, T. Heine, S. Patchkovskii, et al., J. Chem. Theory Comput. 1, 841 (2005).
G. Seifert, A. N. Enyashin, and Th. Heine, Phys. Rev. B 72, 012102 (2005).
A. N. Enyashin, S. Gemming, Th. Heine, et al., Phys. Chem. Chem. Phys. 8, 3320 (2006).
X. Lu and Z. Chen, Chem. Rev. 105, 3643 (2005).
A. N. Enyashin and A. L. Ivanovskii, Pis’ma Zh. Éksp. Teor. Fiz. 86, 609 (2007) [JETP Lett. 86, 537 (2007)].
CRC Handbook of Chemistry and Physics, Ed. by D. R. Lide, 75th ed. (CRC, London, 1995).
J. C. Zheng, Phys. Rev. B 72, 052105 (2005).
A. L. Ivanovskii and G. P. Shveikin, Quantum Chemistry in Materials Science. Nonmetallic Refractory Compounds and Nonmetallic Ceramics (UrO Ross. Akad. Nauk, Yekaterinburg, 2000) [in Russian].
X. F. Zhou, J. Sun, Y. X. Fan, et al., Phys. Rev. B 76, 100101 (2007).
C. S. Yoo, H. Cynn, F. Gygi, et al., Phys. Rev. Lett. 83, 5527 (1999).
W. C. Robert, B. W. Michelle, J. G. John, et al., J. Am. Chem. Soc. 264, 7264 (2005).
Y. Liang and B. Zhang, Phys. Rev. B 76, 132101 (2007).
W. Zhou, H. Wu, and T. Yildirim, Phys. Rev. B 76, 184113 (2007).
N. Dubrovinskaia, L. Dubrovinsky, W. Crichton, et al., Appl. Phys. Lett. 87, 083106 (2005).
M. Popov, M. Kyotani, R.J. Nemanich, and Y. Koga, Phys. Rev. B 65, 033408 (2002).
N. R. Serebryanaya, V. D. Blank, V. A. Ivdenko, and L. A. Chernozatonskii, Solid State Commun. 18, 183 (2001).
W. B. Choi, E. Bae, and D. Kang, Nanotechnology 15, S512 (2004).
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Original Russian Text © A.N. Enyashin, A.L. Ivanovskii, 2008, published in Pis’ma v Zhurnal Éksperimental’noĭ i Teoreticheskoĭ Fiziki, 2008, Vol. 87, No. 6, pp. 372–376.
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Enyashin, A.N., Ivanovskii, A.L. Structural, elastic, and electronic properties of new superhard isotropic cubic crystals of carbon nanotubes. Jetp Lett. 87, 321–325 (2008). https://doi.org/10.1134/S0021364008060118
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DOI: https://doi.org/10.1134/S0021364008060118