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2012 | 10 | 1 | 197-205
Tytuł artykułu

The structural, elastic and thermodynamic properties of intermetallic compound CeGa2

Treść / Zawartość
Warianty tytułu
Języki publikacji
EN
Abstrakty
EN
The structural, elastic and thermodynamic characteristics of CeGa2 compound in the AlB2 (space group: P6/mmm) and the omega trigonal (space group: P-3m1) type structures are investigated using the methods of density functional theory within the generalized gradient approximation (GGA). The thermodynamic properties of the considered structures are obtained through the quasi-harmonic Debye model. The results on the basic physical parameters, such as the lattice constant, the bulk modulus, the pressure derivative of bulk modulus, the phase-transition pressure (P t) from P6/mmm to P-3m1 structure, the second-order elastic constants, Zener anisotropy factor, Poisson’s ratio, Young’s modulus, and the isotropic shear modulus are presented. In order to gain further information, the pressure and temperature-dependent behavior of the volume, the bulk modulus, the thermal expansion coefficient, the heat capacity, the entropy, Debye temperature and Grüneisen parameter are also evaluated over a pressure range of 0–6 GPa and a wide temperature range of 0–1800 K. The obtained results are in agreement with the available experimental and the other theoretical values.
Wydawca

Czasopismo
Rocznik
Tom
10
Numer
1
Strony
197-205
Opis fizyczny
Daty
wydano
2012-02-01
online
2011-12-03
Twórcy
  • Department of Physics, Gazi University, Teknik okullar, 06500, Ankara, Turkey, yasemin@gazi.edu.tr
  • Department of Physics, Gazi University, Teknik okullar, 06500, Ankara, Turkey
autor
  • Department of Physics, Balikesir University, Balikesir, Turkey
  • Department of Physics, Aksaray University, 68100, Aksaray, Turkey
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Typ dokumentu
Bibliografia
Identyfikatory
Identyfikator YADDA
bwmeta1.element.-psjd-doi-10_2478_s11534-011-0012-9
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