Abstract
The structural and energy characteristics of interstitial molecular hydrogen in single-crystal silicon are theoretically studied. The dependence of the potential energy of the system on the position and orientation of the interstitial defect is investigated, and the mechanism of interaction of a hydrogen molecule with a silicon crystal is considered. A three-dimensional model is employed to calculate the energy spectrum of H2 in Si, and the obtained dispersion law is analyzed.
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Original Russian Text © V.V. Melnikov, 2015, published in Zhurnal Eksperimental’noi i Teoreticheskoi Fiziki, 2015, Vol. 147, No. 6, pp. 1162–1169.
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Melnikov, V.V. Structural and energy properties of interstitial molecular hydrogen in single-crystal silicon. J. Exp. Theor. Phys. 120, 1005–1011 (2015). https://doi.org/10.1134/S1063776115060199
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DOI: https://doi.org/10.1134/S1063776115060199