Structural, electronic, and magnetic properties in FeAlAu<sub>𝓷</sub> (𝓷 = 1–6) clusters: A first-principles study<xref ref-type="fn" rid="cpb142263fn1">*</xref>

Structural, electronic, and magnetic properties in FeAlAu_𝓷 (𝓷 = 1–6) clusters: A first-principles study*

Zhang Jian-Fei^a), Zhang Meng^a)†, Zhao Yan-Wei^a), Zhang Hong-Yu^a), Zhao Li-Na^b), Luo You-Hua^a)‡

Lowest-energy structures and low-lying isomers with the relative energies (in unit eV) of FeAlAu _n ( n = 1–6) clusters, optimized with PBE/DND/VPSR (DMol3). The ground-state geometries of the corresponding bare Au_n + 2 clusters are also given on the left. See Table 2 for the corresponding energetic and structural information. Red, gray, and yellow circles represent aluminum, iron, and gold atoms, respectively.