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Pis'ma v Zhurnal Èksperimental'noi i Teoreticheskoi Fiziki, 2011, Volume 93, Issue 3, Pages 144–147
(Mi jetpl1819)
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This article is cited in 11 scientific papers (total in 11 papers)
CONDENSED MATTER
Atomic and electronic structure of mixed Au–Co nanowires: Ab initio molecular dynamics study
E. M. Smelova, K. M. Tsysar', D. I. Bazhanov, A. M. Saletsky M. V. Lomonosov Moscow State University, Faculty of Physics
Abstract:
The atomic and electronic structure of uniformly and nonuniformly mixed Au–Co nanowires have been studied using the ab initio molecular dynamics method. The effect of elastic stretching/contraction deformations on the stability and electronic properties of mixed Au–Co nanowires has been studied. It is established that Co dimers are formed in a nonuniformly mixed nanowire. The formation of CO$_2$ dimers results in a non-uniform distribution of the electron density and interactomic distances along the wire and leads to accelerated rupture of the wire between Au atoms under stretching. Only a uniformly mixed Au–Co nanowire composed of regularly alternating Au and Co atoms is stable under stretching up to large interactomic distances.
Received: 22.11.2010
Citation:
E. M. Smelova, K. M. Tsysar', D. I. Bazhanov, A. M. Saletsky, “Atomic and electronic structure of mixed Au–Co nanowires: Ab initio molecular dynamics study”, Pis'ma v Zh. Èksper. Teoret. Fiz., 93:3 (2011), 144–147; JETP Letters, 93:3 (2011), 129–132
Linking options:
https://www.mathnet.ru/eng/jetpl1819 https://www.mathnet.ru/eng/jetpl/v93/i3/p144
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Abstract page: | 275 | Full-text PDF : | 78 | References: | 50 |
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