2023
DOI: 10.1088/2515-7655/accc54
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Density functional theory study of energetics, local chemical environment and magnetic properties in a high-entropic MnNiSi0.2Ge0.2Sn0.2Al0.2Ga0.2 intermetallic magnet

Abstract: Rare-earth-free magnetostructural MnNiSi-based solid solutions are considered as promising candidates for solid-state cooling applications. In this paper, we use density functional theory calculations to study the energetics, variations in atomic displacements and bond length, and magnetic properties of high-entropic, intermetallic MnNi-X (X=Si0.2Ge0.2Sn0.2Al0.2Ga0.2) magnet in both the low-symmetry Pnma and high-symmetry P63/mmc structures, where we confine the large configurational entropy to the non-magneti… Show more

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