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Title: First-Principle Study of Half-Metallic Ferrimagnet Behavior in Titanium-Based Heusler Alloys Ti{sub 2}FeZ (Z = Al, Ga, and In)

Abstract

Using density functional theory with the full-potential linearized augmented plane-wave method (FP-LAPW), we have study the structural, electronic, and magnetic properties of Ti{sub 2}FeZ (Z = Al, Ga, and In) alloys with Hg{sub 2}CuTi-type structure. The magnetic stabilities reveal that all our compounds exhibit ferrimagnetic (FiM) behaviors. The electronic structure report the existence of a gap energy equal to 0.56, 0.60, and 0.64 eV for Ti{sub 2}FeAl, Ti{sub 2}FeGa, and Ti{sub 2}FeIn, respectively, in the spin-down state and divulge metallic intersections at the Fermi level for the spin-up state. These results indicate that our compounds have a half-metallic (HM) nature. In addition to this, the total magnetic moments are in agreement with the obtained one by the Slater-Pauling rule (M{sub tot} = Z{sub tot} − 18), which indicates the 100% spin polarization for these compounds.

Authors:
; ; ; ;  [1];  [2]
  1. Djillali Liabes University, Magnetic Materials Laboratory, Faculty of Exact Sciences (Algeria)
  2. Abdelhamid Ibn Badis University, Laboratory of Technology and Solid Properties, Faculty of Sciences and Technology (Algeria)
Publication Date:
OSTI Identifier:
22776967
Resource Type:
Journal Article
Journal Name:
Journal of Superconductivity and Novel Magnetism
Additional Journal Information:
Journal Volume: 31; Journal Issue: 4; Other Information: Copyright (c) 2018 Springer Science+Business Media, LLC, part of Springer Nature; Article Copyright (c) 2017 Springer Science+Business Media, LLC; http://www.springer-ny.com; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1557-1939
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; DENSITY FUNCTIONAL METHOD; ELECTRONIC STRUCTURE; FERMI LEVEL; FERRIMAGNETISM; HEUSLER ALLOYS; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; SPIN ORIENTATION; TITANIUM BASE ALLOYS

Citation Formats

Drief, M., Guermit, Y., Benkhettou, N., Rached, D., Rached, H., E-mail: habib-rached@yahoo.fr, and Lantri, T. First-Principle Study of Half-Metallic Ferrimagnet Behavior in Titanium-Based Heusler Alloys Ti{sub 2}FeZ (Z = Al, Ga, and In). United States: N. p., 2018. Web. doi:10.1007/S10948-017-4286-Z.
Drief, M., Guermit, Y., Benkhettou, N., Rached, D., Rached, H., E-mail: habib-rached@yahoo.fr, & Lantri, T. First-Principle Study of Half-Metallic Ferrimagnet Behavior in Titanium-Based Heusler Alloys Ti{sub 2}FeZ (Z = Al, Ga, and In). United States. doi:10.1007/S10948-017-4286-Z.
Drief, M., Guermit, Y., Benkhettou, N., Rached, D., Rached, H., E-mail: habib-rached@yahoo.fr, and Lantri, T. Sun . "First-Principle Study of Half-Metallic Ferrimagnet Behavior in Titanium-Based Heusler Alloys Ti{sub 2}FeZ (Z = Al, Ga, and In)". United States. doi:10.1007/S10948-017-4286-Z.
@article{osti_22776967,
title = {First-Principle Study of Half-Metallic Ferrimagnet Behavior in Titanium-Based Heusler Alloys Ti{sub 2}FeZ (Z = Al, Ga, and In)},
author = {Drief, M. and Guermit, Y. and Benkhettou, N. and Rached, D. and Rached, H., E-mail: habib-rached@yahoo.fr and Lantri, T.},
abstractNote = {Using density functional theory with the full-potential linearized augmented plane-wave method (FP-LAPW), we have study the structural, electronic, and magnetic properties of Ti{sub 2}FeZ (Z = Al, Ga, and In) alloys with Hg{sub 2}CuTi-type structure. The magnetic stabilities reveal that all our compounds exhibit ferrimagnetic (FiM) behaviors. The electronic structure report the existence of a gap energy equal to 0.56, 0.60, and 0.64 eV for Ti{sub 2}FeAl, Ti{sub 2}FeGa, and Ti{sub 2}FeIn, respectively, in the spin-down state and divulge metallic intersections at the Fermi level for the spin-up state. These results indicate that our compounds have a half-metallic (HM) nature. In addition to this, the total magnetic moments are in agreement with the obtained one by the Slater-Pauling rule (M{sub tot} = Z{sub tot} − 18), which indicates the 100% spin polarization for these compounds.},
doi = {10.1007/S10948-017-4286-Z},
journal = {Journal of Superconductivity and Novel Magnetism},
issn = {1557-1939},
number = 4,
volume = 31,
place = {United States},
year = {2018},
month = {4}
}