Ab initio study of the structural, magnetic, electronic, and thermodynamic properties of Pd$_{2}$Mn$Z$ ($Z$ = Ga, Ge, As) Heusler alloys

The results of examination of the structural, magnetic, electronic, and thermodynamic properties of Pd$_{2}$Mn$Z$ ($Z$ = Ga, Ge, As) Heusler alloys obtained in ab initio and Monte Carlo modeling are presented. It is demonstrated that a stable martensitic state is possible for Pd$_{2}$MnGa and Pd$_{2}$MnAs alloys. The equilibrium lattice parameter increases in the considered series of alloys with the number of valence electrons per atom $(e/a)$. The Curie temperature of Pd$_{2}$Mn$Z$ ($Z$ = Ga, Ge, As) alloys is determined using the calculated parameters of exchange interaction and total magnetic moments.