Abstract
The diffusion coefficient for vacancies is calculated on the basis of the Kubo formula. Here no assumptions are made about the character of the migration of the atom into the vacant site, and the calculation is carried out on the basis of a Hamiltonian proposed earlier by the author. A general expression is obtained for the temperature dependence of the diffusion coefficient that is valid in a wide temperature range. The case T » TD (TD is the Debye temperature) is especially analyzed, where the diffusion process is in the main connected with over-barrier jumping. The corresponding temperature dependence is determined by the expression T3/2exp (−U/κBT, where U is the height of the potential barrier that separates neighboring sites. The dependence of the diffusion coefficient on the mass of the diffusing atom is also investigated.
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Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 6, pp. 60–65, June, 1985.
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Bukhbinder, G.L. Calculation of the diffusion coefficient in crystals. Soviet Physics Journal 28, 491–495 (1985). https://doi.org/10.1007/BF00900378
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DOI: https://doi.org/10.1007/BF00900378