Ab Initio Study of Structural and Magnetic Properties of the Fe0.5Mn0.5Rh and Fe0.375Mn0.625Rh Alloys
Oksana O. Pavlukhina, Vasily D. Buchelnikov, Vladimir V. Sokolovskiy, Mikhail A. Zagrebin
Abstract. In the present work, the structural and magnetic properties of Fe0.5Mn0.5Rh and Fe0.375Mn0.625Rh alloys are investigated by using the density functional theory calculations within a supercell approach as implemented in the VASP code. It is shown, that the equilibrium lattice parameter change with increasing Mn concentration. The antiferromagnetic spin configuration in cubic phase is stable for Fe0.5Mn0.5Rh and the ferromagnetic spin configuration in cubic phase is stable for Fe0.375Mn0.625Rh alloys.
Keywords
Iron-Rhodium Alloy, Ab Initio Study, Supercell Approach, Ferro and Antiferromagnetic Orders
Published online 11/15/2018, 4 pages
Copyright © 2018 by the author(s)
Published under license by Materials Research Forum LLC., Millersville PA, USA
Citation: Oksana O. Pavlukhina, Vasily D. Buchelnikov, Vladimir V. Sokolovskiy, Mikhail A. Zagrebin, ‘Ab Initio Study of Structural and Magnetic Properties of the Fe0.5Mn0.5Rh and Fe0.375Mn0.625Rh Alloys’, Materials Research Proceedings, Vol. 9, pp 114-117, 2018
DOI: https://dx.doi.org/10.21741/9781644900017-21
The article was published as article 21 of the book Shape Memory Alloys
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