Journal
PHYSICS OF THE SOLID STATE
Volume 60, Issue 5, Pages 981-988Publisher
PLEIADES PUBLISHING INC
DOI: 10.1134/S1063783418050190
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Funding
- Russian Foundation for Basic Research [16-03-00041_a]
- Presidium of the Russian Academy of Sciences [I.13]
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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 Gruneisen 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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