First-principles study of structural, elastic, electronic, magnetic and thermoproperties of Ni2ZrX (X = Sn, Sb) Heusler alloys under pressure

Computational Materials Science

Volumn 82, Issue , 2014, Pages 76-85

  Yuan, Xiao Li ^a   Xue, Mi An ^a   Chen, Wen ^a   An, Tian Qing ^a  

^a HOHAI UNIVERSITY   (China)

Author keywords

DFT; Elastic properties; Electronic; Ni 2ZrX alloy; Thermodynamic properties

Indexed keywords

DFT; EFFECTS OF TEMPERATURE; ELASTIC PROPERTIES; ELECTRONIC; FIRST PRINCIPLE CALCULATIONS; FIRST-PRINCIPLES STUDY; QUASI-HARMONIC DEBYE MODEL; THERMAL EXPANSION COEFFICIENTS;

ALLOYS; CALCULATIONS; CERIUM ALLOYS; ELASTIC MODULI; EQUATIONS OF STATE; NICKEL; THERMODYNAMIC PROPERTIES; TIN;

TIN ALLOYS;

EID: 84886257587     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2013.08.059     Document Type: Article

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