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Title: On the Calculation of the Debye Temperature and Crystal–Liquid Phase Transition Temperature of a Binary Substitution Alloy

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.

Authors:
 [1]
  1. Russian Academy of Sciences, Institute for Geothermal Problems, Dagestan Scientific Center (Russian Federation)
Publication Date:
OSTI Identifier:
22771108
Resource Type:
Journal Article
Journal Name:
Physics of the Solid State
Additional Journal Information:
Journal Volume: 60; Journal Issue: 5; Other Information: Copyright (c) 2018 Pleiades Publishing, Ltd.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1063-7834
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ALLOYS; BINARY ALLOY SYSTEMS; CONCENTRATION RATIO; CRYSTAL-PHASE TRANSFORMATIONS; CRYSTALS; DEBYE TEMPERATURE; GERMANIUM; GERMANIUM COMPOUNDS; GERMANIUM SILICIDES; LATTICE PARAMETERS; LIQUIDS; MELTING; NANOSTRUCTURES; NONLINEAR PROBLEMS; SILICON COMPOUNDS; SOLIDS; TRANSITION TEMPERATURE; VEGARD LAW

Citation Formats

Magomedov, M. N., E-mail: mahmag4@mail.ru. On the Calculation of the Debye Temperature and Crystal–Liquid Phase Transition Temperature of a Binary Substitution Alloy. United States: N. p., 2018. Web. doi:10.1134/S1063783418050190.
Magomedov, M. N., E-mail: mahmag4@mail.ru. On the Calculation of the Debye Temperature and Crystal–Liquid Phase Transition Temperature of a Binary Substitution Alloy. United States. doi:10.1134/S1063783418050190.
Magomedov, M. N., E-mail: mahmag4@mail.ru. Tue . "On the Calculation of the Debye Temperature and Crystal–Liquid Phase Transition Temperature of a Binary Substitution Alloy". United States. doi:10.1134/S1063783418050190.
@article{osti_22771108,
title = {On the Calculation of the Debye Temperature and Crystal–Liquid Phase Transition Temperature of a Binary Substitution Alloy},
author = {Magomedov, M. N., E-mail: mahmag4@mail.ru},
abstractNote = {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.},
doi = {10.1134/S1063783418050190},
journal = {Physics of the Solid State},
issn = {1063-7834},
number = 5,
volume = 60,
place = {United States},
year = {2018},
month = {5}
}