First-principles calculations of structural,elastic and electronic properties of(TaNb)0.67(HfZrTi)0.

• 作 者: Zhi-sheng Nong Hao-yu Wang Jin
• 机 构: SchoolofMaterialsScienceandEngineering,SchoolofMaterialsScienceandEngineering
• 出 处: 矿物冶金与材料学报:英文版
• 发表日期: 2020年10期
• 关键词: first-principles calculations elastic property electronic structure density of s
• 基金项目: the National Natural Science Foundation of China(No.51701128),the Scientific Research Project of Education Department of Liaoning Province,China(No.JYT19037).

To clarify the effect of pressure on a(TaNb)0.67(HfZrTi)0.33 alloy composed of a solid solution with a single body-centered-cubic crystal structure,we used first-principles calculations to theoretically investigate the structural,elastic,and electronic pr