First-principles study of structural and electronic properties of C14-type Laves phase Al2Zr and Al2Hf

Computational Materials Science

Volumn 83, Issue , 2014, Pages 27-34

  Hu, Wen Cheng ^a   Liu, Yong ^a   Li, De Jiang ^b   Zeng, Xiao Qin ^c   Xu, Chun Shui ^a  

^a NANCHANG UNIVERSITY   (China)

^b Shanghai Jiao Tong University   (China)

^c SHANGHAI JIAO TONG UNIVERSITY   (China)

Author keywords

Electronic structure; First principles calculations; Laves phase; Mechanical properties

Indexed keywords

BONDING CHARACTERISTICS; FIRST PRINCIPLE CALCULATIONS; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; LAVES-PHASE; MECHANICAL AND ELECTRONIC PROPERTIES; MECHANICAL ANISOTROPY; STRUCTURAL AND ELECTRONIC PROPERTIES;

ANISOTROPY; CALCULATIONS; ELASTIC MODULI; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; HAFNIUM; MECHANICAL PROPERTIES; POISSON RATIO; ZIRCONIUM;

ALUMINUM;

EID: 84888357478     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2013.10.029     Document Type: Article

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