Analysis of structural and elastic properties of SmS under high pressure including temperature effects
Analysis of structural and elastic properties of SmS under high pressure including temperature effects
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高压下 SmS 的结构和弹性性能分析（包括温度影响）
DOI：
10.1080/00150193.2017.1361228
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发表时间：
2017
期刊：
影响因子：
0.8
通讯作者：
Sadhna Singh
中科院分区：
文献类型：
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作者：
S. Kapoor;N. Yaduvanshi;Sadhna Singh
采用考虑温度效应的真实相互作用势模型（RIPM）研究了钐硫化物的压致相变，该模型由库仑相互作用、三体相互作用和短程重叠排斥相互作用组成。结果表明，SmS在0 K和300 K时分别在41.92 GPa和38.5 GPa下发生了由NaCl（B1）型向CsCl（B2）型的结构相变。同时还测定了该化合物的二阶弹性常数和脆性。我们的结果与实验数据符合得很好。
ABSTRACT The pressure induced phase transition in samarium sulphide is studied by realistic interaction potential model (RIPM) including temperature effects and is consists of coulomb interaction, three body interaction and short range overlap repulsive interaction up to first neighbour. It is found that SmS undergo a structural phase transition from NaCl (B1) type to CsCl (B2) type at 41.92 GPa at 0 K and 38.5 GPa at 300 K respectively. We have also found the second order elastic constants and brittleness of present compound. Our results are in good agreement with the experimental data.