Crystal Chemistry and Electronic Properties of the Al-Rich Compounds, Al₂Cu, ω-Al₇Cu₂Fe and θ-Al₁₃Fe₄ with Cu Solution

In this work, we investigate Cu solution in θ-Al₁₃Fe₄ and related Al-rich ω-Al₇Cu₂Fe and Al₂Cu phases in the Al-Cu-Fe system using the first-principles density functional theory (DFT) w...

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Bibliographic Details

Published in:	Metals
Main Authors:	Changming Fang, Maaouia Souissi, Zhongping Que, Zhongyun Fan
Format:	Article
Language:	English
Published:	MDPI AG 2022-02-01
Subjects:	Cu solution in θ-Al<sub>13</sub>Fe<sub>4</sub> Cu-containing compounds crystal chemistry on-site coulomb correction density functional theory
Online Access:	https://www.mdpi.com/2075-4701/12/2/329