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5. Density functional theory study of structural and electronic properties of C14-type Laves phase Al2Z

Density functional theory study of structural and electronic properties of C14-type Laves phase Al2Z

来源 :第十二届国际凝聚态理论与计算材料学会议(The 12th International Conference on Con | 被引量 : 0次 | 上传用户：chloexg

【摘 要】

：

　　The structural,mechanical and electronic properties of C14-type Laves phase A122r and A12Hf have been investigated by first-principle calculations based on

【作 者】

：

Wencheng Hu Yong Liu Dejiang Li Xiaoqin Zeng 

【机 构】

：

KeyLaboratoryofNearNetFormingofJiangxiProvince,NanchangUniversity,Nanchang330031,PRChinaNationalEngi

【出 处】

：

第十二届国际凝聚态理论与计算材料学会议(The 12th International Conference on Con

【发表日期】

：

2013年8期

【关键词】

：

Laves phase Mechanical properties Electronic structure First-principles calculat 

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论文部分内容阅读

　　The structural,mechanical and electronic properties of C14-type Laves phase A122r and A12Hf have been investigated by first-principle calculations based on the density functional theory.The calculated equilibrium lattice parameters are in good agreement with the available experimental values.

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