Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 12, Issue 37, Pages 11428-11431Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/b923865d
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Funding
- National Basic Research Program of China [2006CB605101]
- National Natural Science Foundation of China [10874039]
- Natural Science Foundation of Hebei Province [A2008000134]
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A metal-encapsulating silicon fullerene, Eu@Si(20), has been predicted by density functional theory to be by far the most stable fullerene-like silicon structure. The Eu@Si(20) structure is a dodecahedron with D(2h) symmetry in which the europium atom occupies the center site. The calculated results show that the europium atom has a large magnetic moment of nearly 7.0 Bohr magnetons. In addition, it was found that a stable pearl necklace nanowire, constructed by concatenating a series of Eu@Si(20) units, with the central europium atom, retains the high spin moment. The magnetic structure of the nanowire indicates potential applications in the fields of spintronics and high-density magnetic storage.
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