Abstract
The effects of alloying on the structural and magnetic properties of NinMn (n=1–12) clusters are investigated using all-electron density functional theory. The results reveal that the most stable structures of NinMn (n=1–12) clusters are all similar to those of corresponding Nin+1 clusters. Maximum peaks of second-order energy difference are found at n=3, 5, 8 and 10, indicating that these clusters possess relatively higher stability than their respective neighbors. An enhancement in the magnetic moment is obtained for small binary Ni–Mn clusters compared to that of pure Ni clusters of same size except for Ni10Mn. In addition, the magnetic properties of the doped Mn atom exhibit the magnetic moment surface enhancement effect.
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