Change in the Thermodynamic Properties of a Si-Ge Solid Solution at a Decrease of the Nanocrystal Size

被引:7
|
作者
Magomedov, M. N. [1 ]
机构
[1] Russian Acad Sci, Dagestan Sci Ctr, Inst Geothermal Res, Makhachkala 367030, Russia
基金
俄罗斯基础研究基金会;
关键词
nanocrystal; isochore; isobar; silicon; germanium; THERMAL-PROPERTIES; ELASTIC PROPERTIES; SILICON; GERMANIUM; SURFACE; TEMPERATURE; MODULUS; EXPANSION; PRESSURE; DIAMOND;
D O I
10.1134/S1063783419110210
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
The equation of state and the thermodynamic properties of the substitutional solid solution Si0.5Ge0.5 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 Si-0.5-Ge-0.5 nanocrystal increases the more significantly, the higher the nanocrystal temperature.
引用
收藏
页码:2145 / 2154
页数:10
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