The effect of the composition and pressure on the phase stability and electronic, magnetic, and elastic properties of MAX (M = Mn, Fe; A = Al, Ga, Si, Ge; X = C, N) phases.

The magnetic properties of MAX (M = Mn, Fe; A = Al, Ga, Si, Ge; X = C, N) phases were studied within DFT-GGA. The magnetic electronic ground state is determined. The investigation of the phase stability of MAX phases is performed by comparing the total energy of MAX phases to that of the set of competitive phases for calculation of the phase formation enthalpy.