# 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:

- 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}

}