Electronic structure and elastic constants of TiCxN 1-x, ZrxNb1-xC and HfCxN 1-x alloys: A first-principles study

Physica B: Condensed Matter

Volumn 406, Issue 19, 2011, Pages 3631-3635

  Feng, Wenxia ^a,b   Cui, Shouxin ^a,b   Hu, Haiquan ^a,b   Zhang, Guiqing ^a,b   Lv, Zengtao ^a,b  

^a LIAOCHENG UNIVERSITY   (China)

^b Key Laboratory of Optical Communication Science and Technology of Shandong   (China)

Author keywords

Ab initio; Elastic constants; Electronic properties; Transition metal carbides and nitrides

Indexed keywords

AB INITIO; ALLOY CONCENTRATION; ANISOTROPIC HARDNESS; ELASTIC PROPERTIES; FIRST-PRINCIPLES STUDY; METALLIC BEHAVIORS; PLANE-WAVE PSEUDOPOTENTIAL METHOD; TERNARY COMPOUNDS; TOTAL DENSITY OF STATE; TRANSITION METAL CARBIDES AND NITRIDES;

ALLOYS; CALCULATIONS; DENSITY FUNCTIONAL THEORY; ELASTIC CONSTANTS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; LATTICE CONSTANTS; NIOBIUM; NIOBIUM COMPOUNDS; NITRIDES; TITANIUM CARBIDE; TRANSITION METALS; ZIRCONIUM;

EQUILIBRIUM CONSTANTS;

EID: 79960981798     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2011.06.058     Document Type: Article

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