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The interface structure and segregation behavior of L1₂-Al₃M (M = Sc, Zr, Er, Y) phases were investigated based on first-principles calculations. The results showed that the order of the thermodynamically stable interface was Al₃Zr/Al > Al₃Sc/Al > Al₃Er/ Al > Al₃Y/Al. The interfaces of Al₃Sc/Al₃Zr, Al₃Er/Al₃Zr, and Al₃Y/Al₃Er obtained negative interfacial energies and low coherent strain energies and were favorable to form a clear interface. Zr atom tended to segregate to the first atomic layer on the Al side of the Al/Al₃Sc, Al/Al₃Er, and Al/Al₃Y interfaces. The driving effect of the Zr atom segregation to the Al₃Y shows was stronger than that to Sc and Er atoms, whereas the high coherent strain energy hindered the formation of Al₃Y/Al₃Zr interface. Er atom tended to segregate at the Al/Al₃Y interface and accelerated the formation of core-shelled Al₃Y/Al₃Er. Furthermore, the formation of the double core-shelled Al₃Y/Al₃Er/Al₃Zr was discussed.