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Investigations of structural, elastic, electronic and thermodynamic properties of lutetium filled skutterudite LuFe4P12 under pressure effect: FP-LMTO method

Identyfikatory
Warianty tytułu
Języki publikacji
EN
Abstrakty
EN
Structural, elastic, electronic and thermodynamic properties of ternary cubic filled skutterudite compound were calculated. We have computed the elastic modulus and its pressure dependence. From the elastic parameter behavior, it is inferred that this compound is elastically stable and ductile in nature. Through the quasi-harmonic Debye model, in which phononic effects are considered, the effect of pressure P (0 to 50 GPa) and temperature T (0 to 3000 degrees C) on the lattice constant, elastic parameters, bulk modulus B, heat capacity, thermal expansion coefficient alpha, internal energy U, entropy S, Debye temperature theta(D), Helmholtz free energy A, and Gibbs free energy G are investigated.
Rocznik
Strony
867--878
Opis fizyczny
Bibliogr. 42 poz., rys., tab.
Twórcy
autor
  • Laboratory of Physical Chemistry of Advanced Materials, University of Djillali Liabes, BP 89, Sidi-Bel-Abbes 22000, Algeria
autor
  • Laboratory of Physical Chemistry of Advanced Materials, University of Djillali Liabes, BP 89, Sidi-Bel-Abbes 22000, Algeria, lttnsameri@yahoo.fr
autor
  • Institute of Nano Electronic Engineering, University Malaysia Perlis, 01000 Kangar, Perlis, Malaysia
autor
  • Djillali Liabes University, Faculty of Exact Sciences, Department of Physics, PO Box 089, Sidi Bel Abbes, 22000, Algeria
autor
  • Electron Microscopy Laboratory (USTO) Oran, Algeria
Bibliografia
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Typ dokumentu
Bibliografia
Identyfikator YADDA
bwmeta1.element.baztech-ac8cbae3-b769-4ee3-9567-393e57a5b92d
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