Electronic Structure, Elastic, Magnetic, and Optical Properties of Fe2MnZ (Z = Si, Ge, and Sn) Full Heusler Alloys: First-Principle Calculations

Investigations of the electronic structure, elastic, magnetic, and optical properties of Fe 2 Mn Z ( Z = Si, Ge, and Sn) full Heusler alloys show mechanical stability with cubic symmetry in all three alloys. They are elastically anisotropic and Fe 2 MnSi is ductile whereas Fe 2 MnGe and Fe 2 MnSn are brittle in nature. The value of total magnetic moment is 3 μ B for Fe 2 MnSi and Fe 2 MnGe at their equilibrium lattice constants and follows the Slater–Pauling curve. Fe 2 MnSn possess the largest magnetic moment among the three with a value of 5.73 μ B at equilibrium lattice constant. Fe 2 MnSi shows half-metallic nature with 100% spin polarization for a wide range of lattice parameters and is useful for spintronics devices. Good optical properties over wide photon energies point to the possible use of these alloys as radiation shielding materials, optical filters, and photo-electronic devices.