A DFT study of the electronic and magnetic properties of Fe2MnSi1−xGex alloys

► Electronic and magnetic properties of Fe2MnSi1−xGex alloys (x=0, 0.25, 0.50, 0.75, and 1.00) are studied. ► The lattice constant is found to increase linearly as a function of Ge concentration with a decrease in the formation energy. ► The total magnetic moment is constant (3 μB) for all alloys. ► It is found that the most contribution comes from Mn local magnetic moment. ► The band gap remains almost constant (0.5 eV), the spin-flip gap decreases as a function of x.