Structural, elastic and electronic properties of Mg(Cu1-xZn x)2 alloys calculated by first-principles

Journal of Alloys and Compounds

Volumn 509, Issue 6, 2011, Pages 2885-2890

  Wu, Meng Meng ^a   Jiang, Yi ^a   Wang, Ji Wei ^b   Wu, Jian ^b   Tang, Bi Yu ^a,b   Peng, Li Ming ^c   Ding, Wen Jiang ^c  

^a GUANGXI UNIVERSITY   (China)

^b XIANGTAN UNIVERSITY   (China)

^c Shanghai Jiao Tong University   (China)

Author keywords

Elastic properties; Electronic structure; First principle calculations; Mechanical properties; Mg(Cu1 xZnx)2 alloys

Indexed keywords

BULK MODULUS; CHARGE DENSITY DISTRIBUTIONS; ELASTIC PROPERTIES; EXPERIMENTAL VALUES; FIRST PRINCIPLE CALCULATIONS; FIRST-PRINCIPLES; MG(CU1-XZNX)2 ALLOYS; PARTIAL SUBSTITUTION; POISSON'S RATIO; POLYCRYSTALLINE AGGREGATES; SHEAR MODULUS; STRUCTURAL PARAMETER; STRUCTURAL STABILITIES; TOTAL ENERGY; YOUNG'S MODULUS; ZN CONTENT;

ALLOYS; DENSITY FUNCTIONAL THEORY; ELASTIC MODULI; ELASTICITY; ELECTRONIC DENSITY OF STATES; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; LATTICE CONSTANTS; MECHANICAL PROPERTIES; POISSON RATIO; STABILITY; ZINC;

STRUCTURAL PROPERTIES;

EID: 78651369355     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2010.11.148     Document Type: Article

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