Abstract:
The structure and magnetic properties of FeRh1−xIrx (x = 0.5, 0.625, 0.75, 0.875, and 1) are investigated by first-principles methods using the VASP software package. Two types of structures (CuAu and CsCl) are examined in the study. The equilibrium lattice parameters, total energy, and magnetic moment, as well as the total and partial densities of states for the Fe–Rh–Ir system, are obtained. It is shown that the antiferromagnetic structure with a spin configuration of the AFM-III type is energetically favorable for all the studied alloys.
Keywords:
first-principle calculations, Fe–Rh–Ir alloys, density of states, magnetic characteristics.
Citation:
О. O. Pavlukhina, V. V. Sokolovskiy, V. D. Buchel'nikov, M. A. Zagrebin, “A study of the structure and magnetic properties of FeRh1−xIrx (x = 0.5–1) alloys by first-principles methods”, Fizika Tverdogo Tela, 62:6 (2020), 855–859; Phys. Solid State, 62:6 (2020), 963–967
\Bibitem{PavSokBuc20}
\by О.~O.~Pavlukhina, V.~V.~Sokolovskiy, V.~D.~Buchel'nikov, M.~A.~Zagrebin
\paper A study of the structure and magnetic properties of FeRh$_{1-x}$Ir$_{x}$ ($x$ = 0.5--1) alloys by first-principles methods
\jour Fizika Tverdogo Tela
\yr 2020
\vol 62
\issue 6
\pages 855--859
\mathnet{http://mi.mathnet.ru/ftt8394}
\crossref{https://doi.org/10.21883/FTT.2020.06.49337.33M}
\elib{https://elibrary.ru/item.asp?id=43800493}
\transl
\jour Phys. Solid State
\yr 2020
\vol 62
\issue 6
\pages 963--967
\crossref{https://doi.org/10.1134/S1063783420060219}
Linking options:
https://www.mathnet.ru/eng/ftt8394
https://www.mathnet.ru/eng/ftt/v62/i6/p855
This publication is cited in the following 2 articles: