First-principles study uncovers structural origins of μ–Al4Mn phase, suggesting insights into alloy formation.
The μ–Al4Mn phase is a complex metallic alloy and an approximant of Al–Mn quasicrystals, characterized by vacancy-ordered layered structures. Density functional theory calculations were performed using a simplified single-component aluminum model, in which the Uchida stacking motif emerges spontaneously from the vacancy-ordered A-layer geometry.
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MORIYA et al. (2026) studied this question.
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