Structure and stacking faults in layered Mg–Zn–Y alloys: A first-principles study

We use first-principles density functional theory total energy calculations based on pseudo-potentials and plane-wave basis to assess stability of the periodic structures with different stacking sequences in Mg–Zn–Y alloys. For pure Mg, we find that the 6-layer (6 l) structure with the ABACAB stacki...

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