CaS在压力下的晶体密度高达40gpa

N. Bioud, R. Mezouar
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引用次数: 1

摘要

基于文献报道的实验基态参数(Luo et al., Phys.;Rev. B 50 (1994)16232-16237);本文再现了立方岩盐结构的硫化钙(CaS)化合物在压力高达40 GPa时的体积变化。我们使用了两种不同的状态方程(EOS)模型;第一个是Vinet的型号,第二个是EOS murnaghan的型号。我们还研究了压力对晶体密度的影响。建立了晶体体积与压力、晶体密度与压力的解析模型。最后,我们预测了CaS材料的熔点、德拜温度和声速分别为1202.2 K、423.7 K和4049.5 m/s。  Â
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Crystal density of CaS under pressure up to 40 GPa
Based on the experimental ground state parameters reported in the literature (Luo et al., Phys. Rev. B 50 (1994)16232-16237); in the present work we reproduce the variation in the volume with the pressure up to 40 GPa for calcium sulfide (CaS) compound, which criticized in cubic rock-salt structure. We used two different models of equation of state (EOS); the fist is the model of Vinet, while the second one is the EOS Murnaghan’s model. We studied also the effect of the pressure on the crystal density. We established some analytical models relating the volume with the pressure, as well as the crystal density with the pressure.Finally, we predicted the melting point, the Debye temperature and the sound velocity of CaS material, which are 1202.2 K, 423.7 K, and 4049.5 m/s, respectively.   
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