Electronic and Magnetic Properties of Ru2FeSi1−xGex Alloys in B2 Structure: a First-Principle Study

In this letter, structural, electronic structure, and magnetic properties of Ru2FeSi1−xGex were analyzed for the first time in the stable B2 phase by using the first-principle calculation. The exchange and correlation potentials are described by using generalized gradient approximations (GGA) The B2 structure is found to be energetically more favorable than the L21 structure. It was found that the lattice parameters increase linearly with increasing x. For all the range studied, the Ru2FeSi1−xGex alloys exhibit a metallic character. The origin of magnetic moment is due to the exchange splitting of Fe-d states, and the atomic magnetic moment of the present material originates mainly from Fe atom.