Effect of alloying elements on in-plane ordering and disordering of solute clusters in Mg-based long-period stacking ordered structures: A first-principles analysis

摘要

Using density functional theory, we characterized the in-plane binding between L1_2-type solute clusters in Mg-M-RE (M = Al, Zn; RE = Y, Gd) long-period stacking ordered (LPSO) structures. The difference between the Al and Zn concentrations within the clusters determines whether the intercluster interaction is attractive or repulsive. Incomplete in-plane ordering observed experimentally in Mg-Zn-Y LPSO structures was suggested to be caused by the unlinked nature of the clusters owing to their significant inward contraction.