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Pis'ma v Zhurnal Èksperimental'noi i Teoreticheskoi Fiziki, 2008, Volume 87, Issue 9, Pages 575–579
(Mi jetpl104)
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This article is cited in 16 scientific papers (total in 16 papers)
CONDENSED MATTER
New boron barrelenes and tubulenes
L. A. Chernozatonskiia, P. B. Sorokinbac, B. I. Yakobsond a Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, ul. Kosygina 4, Moscow, 119334, Russia
b Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660049, Russia
c Siberian Federal University, Krasnoyarsk, 660041, Russia
d Department of Mechanical Engineering \& Material Science and Department of Chemistry, Rice University, Houston, Texas 77251, USA
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).
Received: 24.03.2008
Citation:
L. A. Chernozatonskii, P. B. Sorokin, B. I. Yakobson, “New boron barrelenes and tubulenes”, Pis'ma v Zh. Èksper. Teoret. Fiz., 87:9 (2008), 575–579; JETP Letters, 87:9 (2008), 489–493
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https://www.mathnet.ru/eng/jetpl104 https://www.mathnet.ru/eng/jetpl/v87/i9/p575
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Abstract page: | 326 | Full-text PDF : | 131 | References: | 38 |
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