Novel Theoretical Prediction of Structural Properties, Ferromagnetic Ordering, and Electronic Structure of Fe{sub 2}PbC MAX Phase
- Université Djillali Liabès de Sidi Bel-Abbès, Laboratoire d’Etude des Matériaux & Instrumentations Optiques, Département Matériaux et Développement Durable, Faculté des Sciences Exactes (Algeria)
- Centre Universitaire Nour Bachir El Bayadh (Algeria)
- Dr. Tahar Moulay University of Saïda, Faculty of Sciences, Department of Physics (Algeria)
- Relizane University Center (RUC), Faculty of Physics, Department of Science and Technology (Algeria)
In this study, we have investigated the magnetic stability; ferromagnetic ordering; and structural, elastic, and electronic properties of Fe{sub 2}PbC 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 Fe{sub 2}PbC is more stable than non-magnetic state configuration at their equilibrium lattice parameters. The structural and elastic properties suggest that Fe{sub 2}PbC is an anisotropic material, which is stable in the hexagonal MAX phase. The electronic structures show that Fe{sub 2}PbC has metallic-covalent-ionic character. The ferromagnetic performance of Fe{sub 2}PbC is confirmed by the total magnetic moment of 4.15 μ{sub B}, where its main contribution is originated from Fe atoms.
- OSTI ID:
- 22773886
- Journal Information:
- Journal of Superconductivity and Novel Magnetism, Vol. 31, Issue 8; Other Information: Copyright (c) 2018 Springer Science+Business Media, LLC, part of Springer Nature; http://www.springer-ny.com; Country of input: International Atomic Energy Agency (IAEA); ISSN 1557-1939
- Country of Publication:
- United States
- Language:
- English
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