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Pis'ma v Zhurnal Èksperimental'noi i Teoreticheskoi Fiziki, 2001, Volume 74, Issue 3, Pages 195–199
(Mi jetpl4183)
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This article is cited in 5 scientific papers (total in 5 papers)
CONDENSED MATTER
Fullerene model of silicon nanofibers
E. F. Shekaa, E. A. Nikitinaa, V. A. Zaetsb, I. Ya. Ginzburgb a Peoples Friendship University of Russia, Moscow
b Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Moscow region
Abstract:
A computational (quantum-chemical) experiment has been performed on constructing a silicon nanofiber by gas-phase deposition. A model of two-step polymerization has been proposed in which a fullerene Si$_{60}$ molecule serves as the main structural unit. The formation of oligomers of the molecule containing from three to eight molecular units explains the discrete values of the fiber width observed experimentally. The formation of a «rouleau» of oligomers leads to fiber growth in terms of length. It is shown that both steps are favorable in energy with the decisive superiority of a high-spin state, which poses the question of considering silicon nanofibers to be molecular magnets.
Received: 16.01.2001 Revised: 03.07.2001
Citation:
E. F. Sheka, E. A. Nikitina, V. A. Zaets, I. Ya. Ginzburg, “Fullerene model of silicon nanofibers”, Pis'ma v Zh. Èksper. Teoret. Fiz., 74:3 (2001), 195–199; JETP Letters, 74:3 (2001), 177–181
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https://www.mathnet.ru/eng/jetpl4183 https://www.mathnet.ru/eng/jetpl/v74/i3/p195
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Abstract page: | 144 | Full-text PDF : | 73 | References: | 1 |
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