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Mechanical_Electronic_and_Thermodynamic_Properties_of_Full_Heusler_Compounds_Fe2VX(X_=_Al,Ga)

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Tue, 2016-01-12 13:47 — Mohammed S. Abu-Jafar
Journal Title, Volume, Page: 
International Journal of Modern Physics B Vol. 29 (2015) 1550229 (15 pages)
Year of Publication: 
2015
Link: 
http://www.worldscientific.com/doi/abs/10.1142/S021797921550229X
Authors: 
M. Khalfa
Current Affiliation: 
Laboratoire d’´ Etude des Mat´eriaux & Instrumentations Optiques, D´epartement Mat´eriaux et D´eveloppement Durable, Facult´e des Sciences Exactes,
H. Khachai
Current Affiliation: 
Laboratoire d’´ Etude des Mat´eriaux & Instrumentations Optiques, D´epartement Mat´eriaux et D´eveloppement Durable, Facult´e des Sciences Exactes,
F. Chiker
Current Affiliation: 
Laboratoire d’´ Etude des Mat´eriaux & Instrumentations Optiques, D´epartement Mat´eriaux et D´eveloppement Durable, Facult´e des Sciences Exactes,
N. Baki
Current Affiliation: 
Laboratoire d’´ Etude des Mat´eriaux & Instrumentations Optiques, D´epartement Mat´eriaux et D´eveloppement Durable, Facult´e des Sciences Exactes,
K. Bougherara
Current Affiliation: 
Laboratoire d’´ Etude des Mat´eriaux & Instrumentations Optiques, D´epartement Mat´eriaux et D´eveloppement Durable, Facult´e des Sciences Exactes,
A. Yakoubi
Current Affiliation: 
Laboratoire d’´ Etude des Mat´eriaux & Instrumentations Optiques, D´epartement Mat´eriaux et D´eveloppement Durable, Facult´e des Sciences Exactes,
G. Murtaza
Current Affiliation: 
Department of Physics, Islamia College Peshawar, KPK, Pakistan
M. Harmel
Current Affiliation: 
Laboratoire d’´ Etude des Mat´eriaux & Instrumentations Optiques, D´epartement Mat´eriaux et D´eveloppement Durable, Facult´e des Sciences Exactes,
M. S. Abu-Jafar
Current Affiliation: 
Physics Department, An-Najah N. University, P. O. Box 7, Nablus, Palestine
S. Bin Omran
Current Affiliation: 
Department of Physics and Astronomy, College of Science
R. Khenata
Current Affiliation: 
Laboratoire de Physique Quantique et de Mod´elisation Math´ematique, Universit´e de Mascara, 29000 Algeria
Preferred Abstract (Original): 
The electronic structure, mechanical and thermodynamic properties of Fe2VX, (with
X = Al and Ga), have been studied self consistently by employing state-of-theart
full-potential linearized approach of augmented plane wave plus local orbitals
(FP-LAPW+lo) method. The exchange-correlation potential is treated with the local
density and generalized gradient approximations (LDA and GGA). Our predicted
ground state properties such as lattice constants, bulk modulus and elastic constants
appear more accurate when we employed the GGA rather than the LDA, and these
results are in very good agreement with the available experimental and theoretical data.
Further, thermodynamic properties of Fe2VAl and Fe2VGa are predicted with pressure
and temperature in the ranges of 0–40 GPa and 0–1500 K using the quasi-harmonic
Debye model. We have obtained successfully the variations of the heat capacities, primitive
cell volume and volume expansion coefficient.
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