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.
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