Electronic structure, magnetic and optical properties of Fe2MnGaFe2MnGa Heusler alloy

The article describes the electronic structure, magnetic and optical properties of bulk Fe2MnGaFe2MnGa Heusler alloy. It is shown that unlike most stoichiometric full-Heusler alloys, the bulk Fe2MnGaFe2MnGa crystallizes into the face-centered cubic (fcc) lattice of L12L12(Cu3Au)(Cu3Au)-type ordering, with a Curie temperature of 800 K, with small admixture of B2-phase. The magnetic and optical properties of Fe2MnGaFe2MnGa Heusler alloy are discussed in terms of energy band calculations for ordered fcc and L21L21-type structure. According to the results of our first-principles calculations, the full electron energy of ferromagnetic metallic fcc phase (μfcc=6.11μBf.u.-1)(μfcc=6.11μBf.u.-1) is lower by about 0.06 meV (0.69 K) than that of ferrimagnetic half-metallic phase with L21L21 structure (μL21=2.036μBf.u.-1)(μL21=2.036μBf.u.-1).