各向异性
材料科学
德拜模型
凝聚态物理
晶格振动
振动
格子(音乐)
压力(语言学)
复合材料
热力学
物理
声子
光学
哲学
量子力学
语言学
声学
作者
Chen Li,Xudong Zhang,Feng Wang
出处
期刊:Vacuum
[Elsevier]
日期:2023-03-17
卷期号:212: 112012-112012
被引量:9
标识
DOI:10.1016/j.vacuum.2023.112012
摘要
The lattice vibrations, elastic anisotropy, electronic properties and stress-strain behavior of HfxSiy phases were predicted using a first-principles calculations. The enthalpies of formation and lattice vibration frequencies of HfxSiy confirmed that they are phase-stable. The results of the elastic hardness show that they are elastically anisotropic. The order of anisotropy is Hf3Si2 > HfSi > Hf2Si > HfSi2 > Hf5Si3 > Hf5Si4. HfSi2 has a maximum hardness value of 19.7 GPa and is less than 20 GPa, indicating that it is not a potential superhard material. The results of stress-strain stretching increase with stretching and start a decreasing trend after the stress value reaches its highest point. Finally, we predicted sound velocity and Debye temperature.
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