Stability, elastic properties and electronic structures of L1 2-ZrAl3 and D022-ZrAl3 up to 40 GPa

Journal of Physics and Chemistry of Solids

Volumn 75, Issue 4, 2014, Pages 535-542

  Duan, Y H ^a,b   Sun, Y ^a   Peng, M J ^a   Zhou, S G ^a  

^a KUNMING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b BEIJING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS   (China)

Author keywords

Elastic properties; First principles; High pressure; Stability; Zirconium trialuminide

Indexed keywords

ANISOTROPIC PROPERTY; ELASTIC PROPERTIES; EQUILIBRIUM STRUCTURES; FIRST PRINCIPLES; FIRST-PRINCIPLES CALCULATION; HIGH PRESSURE; STRUCTURAL STABILITIES; STRUCTURE STABILITY;

ANISOTROPY; CALCULATIONS; CONVERGENCE OF NUMERICAL METHODS; ELECTRONIC DENSITY OF STATES; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; STABILITY; ZIRCONIUM;

ELASTICITY;

EID: 84893199982     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpcs.2013.12.014     Document Type: Article

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