In this work, we report results of ab initio and Monte Carlo investigations of structural and magnetic properties in a series of Heusler compositions Pd 2 MnZ (Z = Ga, Ge, As). It was found that for Pd 2 MnGa and Pd 2 MnAs, the stable martensitic state is realized on the contrast with Pd 2 MnGe. The equilibrium lattice parameters for the series of Pd 2 MnZ (Z = Ga, Ge, As) compounds increase with increasing the number of valence electrons per atom (e/a ratio). Having calculated total magnetic

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... ments and magnetic exchange parameters from ab initio methods, the Curie temperature for Pd 2 Mn-based alloys has been estimated in the framework of Monte Carlo simulations of Heisenberg model.