Structural and magnetic properties of heusler alloys Pd2MnZ (Z=Ga, Ge, As): AB INITIO study

Olga Miroshkina, Mikhail Zagrebin, Vladimir Sokolovskiy, Vasiliy Buchelnikov, N. Perov, A. Semisalova
2018 EPJ Web of Conferences  
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
more » ... 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.
doi:10.1051/epjconf/201818505007 fatcat:ykpm5hq4vngcdg35nkgqvbegim