First-principles study of elastic and electronic properties of MgZn 2 and ScZn2 phases in Mg-Sc-Zn alloy

Journal of Alloys and Compounds

Volumn 506, Issue 1, 2010, Pages 412-417

  Wu, Meng Meng ^a   Wen, Li ^a   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 constants; Electronic structure; First principles calculations; Mechanical properties; Mg Sc Zn alloy

Indexed keywords

BULK MODULUS; CHARGE DENSITY DISTRIBUTIONS; COHESIVE ENERGIES; ELASTIC ANISOTROPY; ELASTIC PROPERTIES; ELECTRONIC DENSITY; EXPERIMENTAL VALUES; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; FORMATION ENTHALPY; MG-SC-ZN ALLOY; POISSON'S RATIO; POLYCRYSTALLINE AGGREGATES; SHEAR MODULUS; STRUCTURAL STABILITIES; UNDERLYING MECHANISM; YOUNG'S MODULUS;

ALLOYS; CERIUM ALLOYS; DENSITY (SPECIFIC GRAVITY); DENSITY FUNCTIONAL THEORY; ELASTIC CONSTANTS; ELASTIC MODULI; ELASTICITY; ELECTRONIC DENSITY OF STATES; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; LATTICE CONSTANTS; POISSON RATIO; SCANDIUM; STABILITY; STRUCTURAL PROPERTIES; ZINC; ZINC ALLOYS;

MECHANICAL PROPERTIES;

EID: 77956094786     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2010.07.018     Document Type: Article

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