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March 12, 20260 citations

Subshell Stability in Superatomic Clusters and the Formation of Stable Magnetic Motifs.

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DKDeepak KumarARArthur C. ReberSKShiv N Khanna

Key Points

  • This research investigates the stability associated with half-filled subshells in superatomic clusters and its impact on magnetic properties.
  • Analyzed symmetry in various superatomic clusters
  • Examined energetic stability linked to half-filled shells
  • Demonstrated formation of magnetic species from subshells
  • Half-filled shells enhance energetic stability of clusters
  • Formation of stable magnetic units observed with filled subshells
  • Potential for creating magnetic nanoassemblies with tunable properties

Abstract

It is now well established that the quantum states in symmetric clusters are grouped into shells and that clusters with filled shells exhibit enhanced stability. While the stability with filled shells is established, the corresponding stability associated with half-filled shells and its role in properties is largely unexplored. In this work, we first examine the stability due to half-filled shells by considering a variety of clusters and show that such fillings indeed enhance the energetic stability. We then demonstrate that such a possibility enables the formation of magnetic species via stable subshells belonging to different quantum numbers. The formation of stable magnetic units with filled subshells opens the door to creating magnetic nanoassemblies with tunable coupling and magnetic anisotropy.

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Cite This Study

Kumar et al. (2026) studied this question.

synapsesocial.com/papers/69b25b1996eeacc4fcec97d9https://doi.org/10.1021/acs.jpca.5c07616
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