Abstract
The structure of a new class of boron nanostructures—barrelenes and tubulenes—based on a boron atomic lattice constructed by the alternating B-atomic polygons with central atoms and without them has been proposed and their properties have been described. Ab initio density functional calculations have been performed for the energy and electronic structure of the fullerene-barrelene-nanotube series based on the lowest energy fullerene B80. It has been shown that the energy and band gap of a barrelene are lower than the respective quantities of the corresponding fullerene and tend to the respective values for nanotubes in the infinite limit. It has been shown that there are isomers of nanotubes of the same type that are significantly different in symmetry and electronic properties: a semiconductor (C 5v symmetry) and a metal (D 5h symmetry).
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
N. G. Szwacki, A. Sadrzadeh, and B. I. Yakobson, Phys. Rev. Lett. 98, 166804 (2007).
A. Quandt and I. Boustani, Chem. Phys. Chem. 6, 2001 (2005).
T. T. Xu, J.-G. Zheng, N. Wu, et al., Nano Lett. 4, 963 (2004).
B. Kiran, S. Bulusu, H.-J. Zhai, et al., Proc. Natl. Acad. Sci. USA 102, 961 (2005).
D. Ciuparu, R. F. Klie, Y. Zhu, and L. Pfefferle, J. Phys. Chem. B 108, 3967 (2004).
H. Tang and S. Ismail-Beigi, Phys. Rev. Lett. 99, 115501 (2007).
V. V. Ivanovskaya, A. N. Enjashina, A. A. Sofronova, et al., J. Mol. Struct.: THEOCHEM 625, 9 (2003).
A. L. Ivanovskii, Fiz. Tverd. Tela 45, 1742 (2003) [Phys. Solid State 45, 1829 (2003)].
L. A. Chernozatonskii, Pis’ma Zh. Eksp. Teor. Fiz. 74, 369 (2001) [JETP Lett. 74, 335 (2001)].
V. M. K. Bagci, O. Gülseren, T. Yildirim, et al., Phys. Rev. B 66, 045409 (2002).
X. Yang, Y. Ding, and J. Ni, Phys. Rev. B 77, 041402 (2008).
P. Hohenberg and W. Kohn, Phys. Rev. B 136, 864 (1964).
G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993).
G. Kresse and J. Hafner, Phys. Rev. B 49, 14251 (1994).
G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996).
J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996); Phys. Rev. Lett. 78, 1396E (1997).
R. Saito, G. Dresselhaus, and M. S. Dresselhaus, Physical Properties of Carbon Nanotubes (World Sci., Singapore, 1998).
E. G. Gal’pern, I. V. Stankevich, L. A. Chernozatonskii, and A. L. Chistyakov, Pis’ma Zh. Eksp. Teor. Fiz. 55, 483 (1992) [JETP Lett. 55, 495 (1992)]; L. A. Chernozatonskii, Phys. Lett. A 166, 55 (1992).
Z. Ya. Kosakovskaya, L. A. Chernozatonskii, and E. A. Fedorov, Pis’ma Zh. Eksp. Teor. Fiz. 56, 26 (1992) [JETP Lett. 56, 26 (1992)].
R. Ma, D. Golberg, Y. Bando, and T. Sasaki, Phil. Trans. R. Soc. A 362, 2161 (2004).
Author information
Authors and Affiliations
Corresponding author
Additional information
Original Russian Text © L.A. Chernozatonskii, P.B. Sorokin, B.I. Yakobson, 2008, published in Pis’ma v Zhurnal Éksperimental’noĭ i Teoreticheskoĭ Fiziki, 2008, Vol. 87, No. 9, pp. 575–579.
Rights and permissions
About this article
Cite this article
Chernozatonskii, L.A., Sorokin, P.B. & Yakobson, B.I. New boron barrelenes and tubulenes. Jetp Lett. 87, 489–493 (2008). https://doi.org/10.1134/S0021364008090087
Received:
Published:
Issue Date:
DOI: https://doi.org/10.1134/S0021364008090087