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Journal of Superconductivity and Novel Magnetism

, Volume 31, Issue 8, pp 2485–2490 | Cite as

Novel Theoretical Prediction of Structural Properties, Ferromagnetic Ordering, and Electronic Structure of Fe2PbC MAX Phase

  • Moued Mebrek
  • Allel Mokaddem
  • Bendouma Doumi
  • Abdelkader Yakoubi
  • Ali Mir
Original Paper
  • 74 Downloads

Abstract

In this study, we have investigated the magnetic stability; ferromagnetic ordering; and structural, elastic, and electronic properties of Fe2PbC compound. The calculations are performed by the use of full-potential linearized augmented plane wave method implemented in WIEN2k code. We have found that the ferromagnetic state of Fe2PbC is more stable than non-magnetic state configuration at their equilibrium lattice parameters. The structural and elastic properties suggest that Fe2PbC is an anisotropic material, which is stable in the hexagonal MAX phase. The electronic structures show that Fe2PbC has metallic-covalent-ionic character. The ferromagnetic performance of Fe2PbC is confirmed by the total magnetic moment of 4.15 μ B, where its main contribution is originated from Fe atoms.

Keywords

DFT calculations Fe2PbC MAX phase Ferromagnetic properties Electronic structures 

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Copyright information

© Springer Science+Business Media, LLC, part of Springer Nature 2017

Authors and Affiliations

  1. 1.Laboratoire d’Etude des Matériaux & Instrumentations Optiques, Département Matériaux et Développement Durable, Faculté des Sciences ExactesUniversité Djillali Liabès de Sidi Bel-AbbèsSidi Bel-AbbèsAlgérie
  2. 2.Centre Universitaire Nour Bachir El BayadhEl BayadhAlgérie
  3. 3.Faculty of Sciences, Department of PhysicsDr. Tahar Moulay University of SaïdaSaïdaAlgeria
  4. 4.Faculty of Physics, Department of Science and TechnologyRelizane University Center (RUC)RelizaneAlgeria

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