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Journal of Superconductivity and Novel Magnetism

, Volume 29, Issue 11, pp 2953–2959 | Cite as

A Novel Theoretical Prediction of Electronic Structure, Phase Stability, and Half-Metallic Ferromagnetic Behavior of New Quaternary RhFeTiZ (Z = Al, Si) Heusler Alloys

  • Samiha Dergal
  • Bendouma Doumi
  • Allel Mokaddem
  • Souheyla Mamoun
  • Abdelkrim Elhasnaïne Merad
Original Paper
  • 131 Downloads

Abstract

The structural, electronic, and magnetic properties of new quaternary RhFeTiZ (Z = Al, Si) Heusler alloys were investigated, using the first-principle full-potential linearized-augmented plane wave (FP-LAPW) method with both generalized gradient approximation with Hubbard term U (GGA + U) and GGA + U plus modified Beck–Johnson (GGA + U + mBJ) exchange potentials. The RhFeTiZ (Z = Al, Si) compounds are stable in the ferromagnetic type I structure. The electronic and magnetic properties of RhFeTiZ (Z = Al, Si) compounds were calculated with GGA + U and improved with GGA + U + mBJ potential in the stable type I structure. We found that RhFeTiAl is a conventional semiconductor for both GGA + U and GGA + U + mBJ potential, whereas the RhFeTiSi is a nearly half-metallic for GGA + U and exhibits a half-metallic ferromagnetic behavior with spin polarization of 100 % for GGA + U + mBJ potential. The total magnetic moments are 0 and 1 μ B for RhFeTiAl and RhFeTiSi, respectively, which are in agreement with the Slater–Pauling rule. Therefore, the RhFeTiSi seems to be a potential candidate for spintronic applications.

Keywords

Electronic structures Half-metallicity New RhFeTiZ (Z = Al Si) Heusler alloys Spintronics 

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Copyright information

© Springer Science+Business Media New York 2016

Authors and Affiliations

  1. 1.Faculty of Sciences, Department of PhysicsHassiba Benbouali University of ChlefChlefAlgeria
  2. 2.Solid State Physics Team, Theoretical Physics LaboratoryAbou Bekr Belkaid University of TlemcenTlemcenAlgeria
  3. 3.Faculty of Sciences, Department of PhysicsDr. Tahar Moulay University of SaïdaSaidaAlgeria
  4. 4.Faculty of Physics, Department of Materials and ComponentsUniversity of Science and Technology Houari Boumediene (USTHB)AlgiersAlgeria
  5. 5.Faculty of Sciences, Department of PhysicsAbou Bekr Belkaid University of TlemcenTlemcenAlgeria

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