Change in the Thermodynamic Properties of a Si–Ge Solid Solution at a Decrease of the Nanocrystal Size
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The equation of state and the thermodynamic properties of the substitutional solid solution Si0.5‒Ge0.5 are calculated in the framework of the “ medium atom” model. The changes in the equation of state and the thermodynamic properties upon the transition from a macrocrystal to a nanocrystal of 222 atoms with the geometric Gibbs surface are calculated using the RP-model of nanocrystal. The calculations have been performed along isotherms T = 100, 300, and 1000 K in the pressure range –1< P < 7 GPa. The changes in the properties is studied at the isochoric and also isobaric (P = 0) decrease of the number of atoms in the nanocrystal. It is shown that, at the isobaric (P = 0) decrease in the size, the specific volume of the Si0.5–Ge0.5 nanocrystal increases the more significantly, the higher the nanocrystal temperature.
Keywords:nanocrystal isochore isobar silicon germanium
The author is grateful to E.N. Akhmedov, S.P. Kramynin, N.Sh. Gazanova, and Z.M. Surkhaeva for fruitful discussions and assistance in the work.
This work was supported by the Russian Foundation for Basic Research (project no. 18-29-11013_mk) and program no. 6 of the Presidium of the Russian Academy of Sciences grant no. 2-13.
CONFLICT OF INTEREST
The author declares that he has no conflicts of interest.
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