Mechanical properties of BBi compound under pressure

Salah Daoud

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Mechanical properties of BBi compound under pressure

机译：BBi化合物在压力下的机械性能

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In several research activities, the ab-initio calculations have become a vital tool for many research scientists (especially the physicists and the chemists). Pseudopotential plane wave method based on density functional perturbation theory within the Teter and Pade exchange-correlation functional form of the local density approximation is applied to study the anisotropy and pressure dependency of the mechanical properties of Boron-bismuth compound. The independent elastic compliance constants, the mechanical behavior, the phase transition, the volume collapse, the Young’s modulus and the Poisson’s ratio for directions within the important crystallographic planes under pressure are studied. The Debye temperature and the melting point are also predicted.

机译：在一些研究活动中，从头算起已成为许多研究科学家（尤其是物理学家和化学家）的重要工具。基于Teter内部的密度泛函微扰理论的伪势平面波方法和局部密度近似的Pade交换-相关泛函形式，研究了硼铋化合物力学性能的各向异性和压力依赖性。研究了重要的晶体平面在压力下的方向的独立弹性柔度常数，力学行为，相变，体积塌陷，杨氏模量和泊松比。还预测了德拜温度和熔点。

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《International Journal of Scientific World》 |2015年第1期|共7页
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Salah Daoud;
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Mechanical properties of BBi compound under pressure

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