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This article is cited in 2 scientific papers (total in 2 papers)
International conference ''Phase transitions, critical and nonlinear phenomena in condensed matter'', Makhachkala, September 15-20, 2019
Magnetism
A study of the structure and magnetic properties of FeRh$_{1-x}$Ir$_{x}$ ($x$ = 0.5–1) alloys by first-principles methods
О. O. Pavlukhinaa, V. V. Sokolovskiyab, V. D. Buchel'nikovab, M. A. Zagrebinac a Chelyabinsk State University
b National University of Science and Technology «MISIS», Moscow
c South Ural State University, Chelyabinsk
Abstract:
The structure and magnetic properties of FeRh$_{1-x}$Ir$_{x}$ ($x$ = 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.
Received: 30.12.2019 Revised: 30.12.2019 Accepted: 10.01.2020
Citation:
О. O. Pavlukhina, V. V. Sokolovskiy, V. D. Buchel'nikov, M. A. Zagrebin, “A study of the structure and magnetic properties of FeRh$_{1-x}$Ir$_{x}$ ($x$ = 0.5–1) alloys by first-principles methods”, Fizika Tverdogo Tela, 62:6 (2020), 855–859; Phys. Solid State, 62:6 (2020), 963–967
Linking options:
https://www.mathnet.ru/eng/ftt8394 https://www.mathnet.ru/eng/ftt/v62/i6/p855
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