Abstract
The Harrison bonding-orbital approximation is used to calculate the energy of substitution δE of Group-III and V elements for Si and C atoms in silicon carbide. The surface and bulk locations of the substitutional atoms are considered. The difference between the surface and bulk substitution energies is estimated with allowance for the image forces. The effect of the relaxation of the impurity-host bond is discussed.
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Translated from Fizika Tverdogo Tela, Vol. 46, No. 2, 2004, pp. 235–242.
Original Russian Text Copyright © 2004 by Davydov.
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Davydov, S.Y. Energy of substitution of Group-III and V elements for Si and C atoms in silicon carbide. Phys. Solid State 46, 238–246 (2004). https://doi.org/10.1134/1.1649417
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DOI: https://doi.org/10.1134/1.1649417