Abstract
A method of estimating the interatomic pair interaction potential parameters for a binary substitution alloy with consideration for the deviation of its lattice parameter from the Vegard law is proposed. This method is used as a basis to calculate the Debye temperature and Grüneisen parameters of a SiGe alloy. It is shown that all these function nonlinearly variate with a change in the germanium concentration. Based on this technique and Lindemann's melting criterion, a method for calculating the liquidus and solidus temperatures of a disordered substitution alloy is proposed. The method is tested on the SiGe alloy and demonstrates good agreement with experimental data. It is shown that when the size of a nanocrystal of a solid substitution solution decreases, the difference between the liquidus and solidus temperatures decreases the more, the more noticeably the nanocrystal shape is deflected from the most energetically optimal shape.
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Original Russian Text © M.N. Magomedov, 2018, published in Fizika Tverdogo Tela, 2018, Vol. 60, No. 5, pp. 970–977.
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Magomedov, M.N. On the Calculation of the Debye Temperature and Crystal–Liquid Phase Transition Temperature of a Binary Substitution Alloy. Phys. Solid State 60, 981–988 (2018). https://doi.org/10.1134/S1063783418050190
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DOI: https://doi.org/10.1134/S1063783418050190