Structural, elastic, electronic properties and heats of formation of Ca-Zn intermetallics from first principles calculations

Journal of Alloys and Compounds

Volumn 524, Issue , 2012, Pages 53-58

  Yang, Zhiwen ^a   Shi, Dongmin ^b   Wen, Bin ^c   Melnik, Roderick ^d  

^a Xuzhou Construction Machinery Research Institute   (China)

^b EAST CHINA UNIVERSITY OF TECHNOLOGY   (China)

^c YANSHAN UNIVERSITY   (China)

^d WILFRID LAURIER UNIVERSITY   (Canada)

Author keywords

Computer simulations; Intermetallics; Thermodynamic properties

Indexed keywords

FIRST PRINCIPLES METHOD; FIRST-PRINCIPLES CALCULATION; HEATS OF FORMATION; THERMODYNAMICALLY STABLE;

CALCIUM; COMPUTER SIMULATION; ELASTIC MODULI; ELECTRONIC PROPERTIES; THERMODYNAMIC PROPERTIES; ZINC;

INTERMETALLICS;

EID: 84862796400     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2012.02.075     Document Type: Article

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