Abstract
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.
Highlights
Fe-Rh-based alloys showing a metamagnetic phase transition were studied experimentally and theoretically during the last decade [1,2,3,4,5,6,7]
The metamagnetic phase transition in Fe-Rh succeeds the large change in magnetization, which is responsible for a giant magnetocaloric effect (MCE) upon variation of a magnetic field
For Fe49Rh51, Nikitin et al [9] reported for the first time the giant MCE about -13 K at magnetic field change of 2 T using a direct method of measurements
Summary
Fe-Rh-based alloys showing a metamagnetic phase transition were studied experimentally and theoretically during the last decade [1,2,3,4,5,6,7]. This alloys have attracted a lot of attention because of their possible application in magnetic cooling, thermally assisted magnetic recording and spintronic devices [1,2,3]. The metamagnetic phase transition in Fe-Rh succeeds the large change in magnetization, which is responsible for a giant magnetocaloric effect (MCE) upon variation of a magnetic field.
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