![]() We demonstrate phase stability in the multicomponent alloy system of Cr–Mo–Nb–V, for which some of its binary subsystems are subject to phase separation and complex intermetallic-phase formation. Some HEAs exhibit desirable properties, such as high specific strength, ductility, and corrosion resistance, while challenging the scientist to make confident predictions in the face of multiple competing phases. High entropy alloys (HEAs) are multicomponent compounds whose high configurational entropy allows them to solidify into a single phase, with a simple crystal lattice structure. In conclusion, first-principles more » density functional theory (DFT) calculations on the electronic and magnetic structures reveal that the anti-ferromagnetism of Mn atoms in CoFeMnNi is suppressed especially in the CoFeMnNiAl HEA because Al changes the Fermi level and itinerant electron-spin coupling that lead to ferromagnetism. This phase transition leads to the significant enhancement of the saturation magnetization (M s), e.g., the CoFeMnNiAl alloy has M s of 147.86 Am 2/kg. ![]() The dramatic change in phase structures from face-centered-cubic (FCC) to ordered body-centered-cubic (BCC) phases, caused by adding Al, Ga, and Sn in CoFeMnNiX alloys, originates from the potent short-range chemical order in the liquid state predicted by ab initio molecular dynamics (AIMD) simulations. Based on the high-entropy effect, a system of CoFeMnNiX (X = Al, Cr, Ga, and Sn) magnetic alloys are designed and investigated. ![]() Magnetic materials with excellent performances are desired for functional applications.
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