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

• Autorzy: Boudia K. , Ameri M. , Al-Douri Y. , Ameri I. , Bouafia H.

Identyfikatory

DOI

10.1515/msp-2015-0106

• 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.

Słowa kluczowe

EN

FP LMTO; structural properties; elastic properties; electronic properties; thermodynamic properties

• Wydawca: De Gruyter
• Czasopismo: Materials Science Poland
• Rocznik: 2015
• Tom: Vol. 33, No. 4
• Strony: 867--878
• Opis fizyczny: Bibliogr. 42 poz., rys., tab.

Twórcy

autor

Boudia K.

• Laboratory of Physical Chemistry of Advanced Materials, University of Djillali Liabes, BP 89, Sidi-Bel-Abbes 22000, Algeria

autor

Ameri M.

• Laboratory of Physical Chemistry of Advanced Materials, University of Djillali Liabes, BP 89, Sidi-Bel-Abbes 22000, Algeria

autor

Al-Douri Y.

• Institute of Nano Electronic Engineering, University Malaysia Perlis, 01000 Kangar, Perlis, Malaysia

autor

Ameri I.

• Djillali Liabes University, Faculty of Exact Sciences, Department of Physics, PO Box 089, Sidi Bel Abbes, 22000, Algeria

autor

Bouafia H.

• Electron Microscopy Laboratory (USTO) Oran, Algeria

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