Electronic structure, stability and thermodynamic properties of Al-Sc intermetallics compounds

Zhongguo Youse Jinshu Xuebao/Chinese Journal of Nonferrous Metals

Volumn 20, Issue 5, 2010, Pages 946-953

  Li, Yan Feng ^a   Xu, Hui ^a   Zhang, Biao ^a   Zhang, Li Gang ^a  

^a CENTRAL SOUTH UNIVERSITY   (China)

Author keywords

Al Sc intermetallics compounds; Density functional theory; Electronic structure; Gibbs free energy; Plane wave pseudo potential method; Stability; Thermodynamic properties

Indexed keywords

AL CONTENT; AL-SC ALLOYS; AL-SC INTERMETALLICS COMPOUNDS; BONDING ELECTRONS; BONDING SITUATION; BULK MODULUS; CRYSTAL STABILITY; EXPERIMENTAL DATA; FERMI ENERGY; FIRST-PRINCIPLES; FORMATION ENTHALPY; FORMING ABILITY; FREE ENERGY CURVE; INTERMETALLICS COMPOUNDS; LOW ENERGIES; PLANE-WAVE PSEUDO-POTENTIAL; PLANE-WAVE PSEUDO-POTENTIAL METHOD; STABLE PHASIS; STABLE STRUCTURES; THERMODYNAMIC CALCULATIONS;

BINDING ENERGY; CRYSTALS; DEBYE TEMPERATURE; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; FREE ENERGY; GIBBS FREE ENERGY; INTERMETALLICS; SCANDIUM; SYSTEM STABILITY; THERMODYNAMICS;

ALUMINUM;

EID: 77954118576     PISSN: 10040609     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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