Structural, electronic, and magnetic properties in FeAlAu𝓷 (𝓷 = 1–6) clusters: A first-principles study |
Variations of HOMO–LUMO energy gap E gap (eV), vertical ionization potential VIP (eV), and vertical electron affinity VEA (eV) with the number of Au atoms, of the FeAlAu n , AlAu n +1, FeAu n +1, and bare Au n +2 clusters ( n = 1–6) for the lowest-energy structures. |
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