Abstract
In this work, the phase stability and properties of FeRh1-xPtx alloys (x = 0.125, 0.25, 0.375, 0.5, 0.625, 0.75, 0.875, 1) are studied within the framework of the density functional theory implemented in the VASP software package. It is found that the antiferromagnetic spin configurations AFM-II and AFM-III are energetically favorable for FeRh1-xPtx with a Pt content in the range of 0 < x ≤ 0.625 and 0.625 < x < 1, correspondingly. While, binary FePt alloy is ordered ferromagnetically. It is shown that compounds with 0 < x ≤ 0.625 are found to be stable with respect to decomposition into stable binary FeRh and FePt compounds at zero and finite temperatures. In the case of compositions with x = 0.75 and 0.875, their stability against segregation is predicted at finite temperatures. An increase in temperature enhances the stabilization of FeRh1-xPtx with respect to decomposition into two-component mixture.
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