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|
Investigation of structural and magnetic properties of Fe-Rh-(Z) (Z = Co, Pt) alloys by first principles method
Chelyabinsk State University, Condensed Matter Physics Department, 454001 Chelyabinsk, Russia
2 National University of Science and Technology “MIS&S”, 119049 Moscow, Russia
Corresponding author: firstname.lastname@example.org
Published online: 4 July 2018
In this work, we present theoretical investigations of the structural and magnetic properties Fe (Rh, Co) and Fe (Rh, Pt) alloys using the density functional theory. The energy calculations were performed for the 16-atom supercell (Fe8Rh8-xZx) with different initial spin configurations. It is shown that a small variation of Pt or Co content leads to change the type of magnetic ordering. It is shown that the ferromagnetic configuration of Fe8Rh8-xCox (x=2, 3) is more energetically favorable as compared with other configurations in austenite. The antiferromagnetic configuration is more energetically favorable for Fe8Rh7Co1 alloy. For the Fe8Rh8-xPtx system, the checkerboard-like antiferromagnetic configuration was found to be more energetically favorable. Besides, the addition of Pt into Fe-Rh system slightly changes the optimized lattice parameter and stimulates the martensitic phase transformation.
© The Authors, published by EDP Sciences, 2018
This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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