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Updated: Jul 4, 2026

Stable Aqueous Suspensions of Manganese Ferrite Clusters with Tunable Nanoscale Dimension and Composition
Published on: February 5, 2022
Structures and electronic properties of small FeB n (n=1-10) clusters
1National Laboratory of Solid State Microstructures and Department of Physics, Nanjing University, Nanjing, China.
Abstract:
The geometries, stabilities, electronic properties, and magnetism of FeB(n) clusters up to n=10 are systematically studied with density functional theory. We find that our optimized structures of FeB(2), FeB(3), FeB(4), and FeB(5) clusters are more stable than those proposed in previous literature. The results show that it is favorable for the Fe atom to locate at the surface, not at the center of the cluster, and that FeB(4) and FeB(9) clusters exhibit high stability. For all the FeB(n) clusters studied, we find the charge transfer from Fe to B site and the coexistence of ionic and covalent bonding characteristics. The computed total magnetic moments of the lowest-energy structures oscillate with the cluster size and are quenched at n=4, 6, 8, and 10.
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