First-principles investigations on mechanical stability and elastic properties of hexagonal tungsten dinitride under pressure

Materials Chemistry and Physics

Volumn 130, Issue 1-2, 2011, Pages 14-19

  Li, Xiao Feng ^a,b   Liu, Zhong Li ^a   Ding, Chao Liang ^a   Fu, Hong Zhi ^a   Ji, Guang Fu ^b  

^a LUOYANG NORMAL COLLEGE   (China)

^b RESEARCH CENTER OF LASER FUSION   (China)

Author keywords

Ab initio calculations; Elastic properties; Nitrides; Thermodynamic properties

Indexed keywords

AB INITIO CALCULATIONS; CRYSTAL ANISOTROPY; ELASTIC PROPERTIES; ELASTIC TENSORS; EQUILIBRIUM PARAMETERS; FIRST-PRINCIPLES INVESTIGATIONS; FIRST-PRINCIPLES STUDY; GENERALIZED GRADIENT APPROXIMATIONS; PRESSURE RANGES; PSEUDOPOTENTIAL PLANE-WAVE METHOD; QUASI-HARMONIC DEBYE MODEL;

CALCULATIONS; ELASTICITY; MECHANICAL STABILITY; NITRIDES; THERMAL EXPANSION; THERMODYNAMIC PROPERTIES; TUNGSTEN;

STABILITY CRITERIA;

EID: 80052591447     PISSN: 02540584     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.matchemphys.2011.07.056     Document Type: Article

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