First-Principles Calculations on Structure, Elastic and Thermodynamic Properties of Al 2X (X=Sc, Y) under Pressure

Journal of Materials Science and Technology

Volumn 28, Issue 2, 2012, Pages 155-163

  Çiftci, Yasemin Öztekin ^a   Çolakoĝlu, Kemal ^a   Deligöz, Engin ^b   Bayhan, Ülku ^c  

^a GAZI UNIVERSITY   (Turkey)

^b AKSARAY UNIVERSITY   (Turkey)

^c MEHMET AKIF ERSOY UNIVERSITY   (Turkey)

Author keywords

Ab initio calculation; Elastic properties; Inter metallic compounds; Thermodynamic properties

Indexed keywords

AB INITIO; AB INITIO CALCULATIONS; ANISOTROPY FACTOR; ELASTIC PROPERTIES; FIRST-PRINCIPLES CALCULATION; GENERALIZED GRADIENT APPROXIMATIONS; PHYSICAL PARAMETERS; POISSON'S RATIO; PRESSURE DERIVATIVE OF BULK MODULUS; PRESSURE RANGES; QUASI-HARMONIC DEBYE MODEL; SECOND ORDERS; TEMPERATURE DEPENDENT; TEMPERATURE RANGE; THERMAL EXPANSION COEFFICIENTS; THERMODYNAMIC CHARACTERISTICS; Y COMPOUNDS; YOUNG'S MODULUS;

ALUMINUM; CALCULATIONS; DEBYE TEMPERATURE; ELASTICITY; LOCAL DENSITY APPROXIMATION; METALLIC COMPOUNDS; SCANDIUM; THERMODYNAMIC PROPERTIES;

ELASTIC MODULI;

EID: 84858760932     PISSN: 10050302     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1005-0302(12)60036-X     Document Type: Article

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