Ferromagnetism in Half-metallic Quaternary FeVTiAl Heusler Compound

摘要

The electronic structure and magnetic properties of FeVTiAl quaternary Heusler alloy have been investigated within the density functional theory framework. The material was found completely spin-polarized half-metallic Ferromagnet in the ground state with F-43m structure. The structural stability was further confirmed by calculating different elastic constants in the cubic phase. Present study predicts an energy band gap of 0.72 eV calculated in localized minority spin channel at an equilibrium lattice parameter of 6.0A. The calculated total spin magnetic moment of 2 μ_B/f.u. is in agreement with the Slater-Pauling rule for full Heusler alloys.