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Pis'ma v Zh. Èksper. Teoret. Fiz., 2013, Volume 97, Issue 11, Pages 732–736 (Mi jetpl3437)  

This article is cited in 1 scientific paper (total in 1 paper)

CONDENSED MATTER

Theoretical study of sorption and diffusion of lithium atoms on the surface of crystalline silicon and inside it

A. A. Kuzubovab, N. S. Elyseevaac, Z. I. Popovacb, A. S. Fedorovbc, M. V. Serzhantovac, V. M. Denisova, F. N. Tomilinb

a Siberian Federal University, Krasnoyarsk
b L. V. Kirensky Institute of Physics, Siberian Branch of the Russian Academy of Sciences
c M. F. Reshetnev Siberian State Aerospace University

Abstract: The energy of the sorption and diffusion of lithium atoms on the reconstructed ($4 \times 2$) (100) silicon surface in the process of their transport into near-surface layers, as well as inside crystalline silicon, at various lithium concentrations have been investigated within the density functional theory. It has been shown that single lithium atoms easily migrate on the (100) surface and gradually fill the surface states (T3 and L) located in channels between silicon dimers. The diffusion of lithium into near-surface silicon layers is hampered because of high potential barriers of the transition ($1.22$ eV). The dependences of the binding energy, potential barriers, and diffusion coefficient inside silicon on distances to the nearest lithium atoms have also been examined. It has been shown that an increase in the concentration of lithium to the Li$_{0.5}$Si composition significantly reduces the transition energy (from $0.90$ to $0.36$ eV) and strongly increases (by one to three orders of magnitude) the lithium diffusion rate.

DOI: https://doi.org/10.7868/S0370274X13110064

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English version:
Journal of Experimental and Theoretical Physics Letters, 2013, 97:11, 634–638

Bibliographic databases:

Document Type: Article
Received: 23.04.2013

Citation: A. A. Kuzubov, N. S. Elyseeva, Z. I. Popov, A. S. Fedorov, M. V. Serzhantova, V. M. Denisov, F. N. Tomilin, “Theoretical study of sorption and diffusion of lithium atoms on the surface of crystalline silicon and inside it”, Pis'ma v Zh. Èksper. Teoret. Fiz., 97:11 (2013), 732–736; JETP Letters, 97:11 (2013), 634–638

Citation in format AMSBIB
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\by A.~A.~Kuzubov, N.~S.~Elyseeva, Z.~I.~Popov, A.~S.~Fedorov, M.~V.~Serzhantova, V.~M.~Denisov, F.~N.~Tomilin
\paper Theoretical study of sorption and diffusion of lithium atoms on the surface of crystalline silicon and inside it
\jour Pis'ma v Zh. \`Eksper. Teoret. Fiz.
\yr 2013
\vol 97
\issue 11
\pages 732--736
\mathnet{http://mi.mathnet.ru/jetpl3437}
\crossref{https://doi.org/10.7868/S0370274X13110064}
\elib{http://elibrary.ru/item.asp?id=21095719}
\transl
\jour JETP Letters
\yr 2013
\vol 97
\issue 11
\pages 634--638
\crossref{https://doi.org/10.1134/S0021364013110088}
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\elib{http://elibrary.ru/item.asp?id=20456361}
\scopus{http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-84881510296}


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    Citing articles on Google Scholar: Russian citations, English citations
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    This publication is cited in the following articles:
    1. Mikhaleva N.S. Visotin M.A. Popov Z.I. Kuzubov A.A. Fedorov A.S., “Ab Initio and Empirical Modeling of Lithium Atoms Penetration Into Silicon”, Comput. Mater. Sci., 109 (2015), 76–83  crossref  isi  elib  scopus
  •       Pis'ma v Zhurnal ksperimental'noi i Teoreticheskoi Fiziki
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