EPJ Web Conf.
Volume 185, 2018Moscow International Symposium on Magnetism (MISM 2017)
|Number of page(s)||4|
|Section||Phase transitions and Magnetocaloric Effect|
|Published online||04 July 2018|
Structural and magnetic properties of heusler alloys Pd2MnZ (Z=Ga, Ge, As): AB INITIO study
Chelyabinsk State University, 454001 Chelyabinsk, Russia
2 National Research South Ural State University, 454080 Chelyabinsk, Russia
3 National University of Science and Technology “MIS&S”, 119991 Moscow, Russia
Corresponding author: email@example.com
Published online: 4 July 2018
In this work, we report results of ab initio and Monte Carlo investigations of structural and magnetic properties in a series of Heusler compositions Pd2MnZ (Z = Ga, Ge, As). It was found that for Pd2MnGa and Pd2MnAs, the stable martensitic state is realized on the contrast with Pd2MnGe. The equilibrium lattice parameters for the series of Pd2MnZ (Z = Ga, Ge, As) compounds increase with increasing the number of valence electrons per atom (e/a ratio). Having calculated total magnetic moments and magnetic exchange parameters from ab initio methods, the Curie temperature for Pd2Mn-based alloys has been estimated in the framework of Monte Carlo simulations of Heisenberg model.
© The Authors, published by EDP Sciences, 2018
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