Electronic and Magnetic Properties of Co2CrGa1−xSix Heusler Alloys

First-principles calculations within full-potential linear-augmented plane-wave method using the generalized gradient approximation were carried out for the electronic and magnetic properties of the Co2CrGa1−xSix Heusler alloys. The electronic structure calculations show a conservation of the minority spin gap supporting the half-metallic character of the Co2CrGa1−xSix alloys. The substitution of Ga by Si results in linear increasing of total magnetic moment as silicon concentration increases following the Slater–Pauling rule that is in agreement with experimental data.