Abstract:
The segregation of a vacancy and phosphorus on inclined grain boundaries in crystalline silicon has been calculated. It has been found that the distribution of defects at boundaries under study depends both on the nature of a defect and on the local structure of the boundary. The parameters characterizing the local deformation of the tetrahedral environment of an atom at the boundary have been proposed. A linear correlation has been found between the energy of the distribution and proposed parameters.
Citation:
V. Yu. Lazebnykh, A. S. Mysovsky, “Ab initio study of the distribution of point defects at grain boundaries in crystalline silicon”, Pis'ma v Zh. Èksper. Teoret. Fiz., 98:2 (2013), 84–87; JETP Letters, 98:2 (2013), 76–79
\Bibitem{LazMys13}
\by V.~Yu.~Lazebnykh, A.~S.~Mysovsky
\paper Ab initio study of the distribution of point defects at grain boundaries in crystalline silicon
\jour Pis'ma v Zh. \`Eksper. Teoret. Fiz.
\yr 2013
\vol 98
\issue 2
\pages 84--87
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\crossref{https://doi.org/10.7868/S0370274X1314004X}
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\transl
\jour JETP Letters
\yr 2013
\vol 98
\issue 2
\pages 76--79
\crossref{https://doi.org/10.1134/S0021364013150125}
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Linking options:
https://www.mathnet.ru/eng/jetpl3469
https://www.mathnet.ru/eng/jetpl/v98/i2/p84
This publication is cited in the following 2 articles:
A. B. Straumal, K. V. Tsoi, I. A. Mazilkin, A. O. Rodin, G. Eggeler, JETP Letters, 111:8 (2020), 447–451