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Study of Structural, Electronic and Magnetic Properties of CoFeIn and Co2FeIn Heusler ِAlloys

Tue, 2016-01-12 10:39 — Mohammed S. Abu-Jafar
Journal Title, Volume, Page: 
Journal of Magnetism and Magnetic Materials Volume 394, 15 November 2015, Pages 404–409
Year of Publication: 
2015
Link: 
http://www.sciencedirect.com/science/article/pii/S0304885315302973
Authors: 
M. El Amine Monir
Current Affiliation: 
Laboratoire de Physique Quantique de la Matière et de la Modélisation Mathématique (LPQ3M), Faculté des Sciences, Université de Mascara, Mascara 29000, Algeria
R. Khenata
Current Affiliation: 
Laboratoire de Physique Quantique de la Matière et de la Modélisation Mathématique (LPQ3M), Faculté des Sciences, Université de Mascara, Mascara 29000, Algeria
H. Baltache
Current Affiliation: 
Laboratoire de Physique Quantique de la Matière et de la Modélisation Mathématique (LPQ3M), Faculté des Sciences, Université de Mascara, Mascara 29000, Algeria
G. Murtaza
Current Affiliation: 
Materials Modeling Lab, Department of Physics, Islamia College University, Peshawar, Pakistan
M.S. Abu-Jafar
Dipartimento di Fisica Universita di Roma "La Sapienza", Roma, Italy
Current Affiliation: 
Department of Physics, An-Najah N. University, Nablus, Palestine
[email protected]
A. Bouhemadou
Current Affiliation: 
Laboratory for Developing New Materials and their Characterization, Department of Physics, Faculty of Science, University of Setif, 19000 Setif, Algeria
S. Bin Omran
Current Affiliation: 
Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia
D. Rached
Current Affiliation: 
Laboratoire des Matériaux Magnétiques, Faculté des Sciences, Université Djillali Liabès de Sidi Bel-Abbès, Sidi Bel-Abbès 22000, Algérie
Preferred Abstract (Original): 
The structural, electronic and magnetic properties of half-Heusler CoFeIn and full-Heusler Co2FeIn alloys have been investigated by using the state of the art full-potential linearized augmented plane wave (FP-LAPW) method. The exchange-correlation potential was treated with the generalized gradient approximation (PBE-GGA) for the calculation of the structural properties, whereas the PBE-GGA+U approximation (where U is the Hubbard Coulomb energy term) is applied for the computation of the electronic and magnetic properties in order to treat the “d” electrons. The structural properties have been calculated in the paramagnetic and ferromagnetic phases where we have found that both the CoFeIn and Co2FeIn alloys have a stable ferromagnetic phase. The obtained results of the spin-polarized band structure and the density of states show that the CoFeIn alloy is a metal and the Co2FeIn alloy has a complete half-metallic nature. Through the obtained values of the total spin magnetic moment, we conclude that in general, the Co2FeIn alloy is half-metallic ferromagnet material whereas the CoFeIn alloy has a metallic nature.
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