Send to

Choose Destination
J Phys Chem A. 2013 May 23;117(20):4297-303. doi: 10.1021/jp4012735. Epub 2013 May 9.

Robust magnetic moments on impurities in metallic clusters: localized magnetic states in superatoms.

Author information

Department of Physics, Virginia Commonwealth University, Richmond, Virginia 23284, USA.


Introducing magnetic impurities into clusters of simple metals can create localized states for higher angular momentum quantum numbers (l = 2 or 3) that can breed magnetism analogous to that in virtual bound states in metallic hosts, offering a new recipe for magnetic superatoms. In this work, we demonstrate that MnCa(n) clusters containing 6-15 Ca atoms show a spin magnetic moment of 5.0 μB irrespective of the cluster size. Theoretical analysis reveals that the Mn d states hybridize only partially with superatomic states and introduce extra majority and minority d states, largely localized at the Mn site, with a large gap. Successive addition of Ca atoms introduces superatomic states of varying angular momentum that are embedded in this gap, allowing control over the stability of the motifs without altering the moment. Assemblies of such clusters can offer novel electronic features due to the formation of localized magnetic "quasibound states" in a confined nearly free electron gas.


Supplemental Content

Full text links

Icon for American Chemical Society
Loading ...
Support Center