Giant magnetic moment of the core-shell Co^sub 13^@Mn^sub 20^ clusters: First-principles calculations

The core-shell clusters Co...αTM... with TM = Mn, Fe, Co, and Ni are investigated within first-principles simulations in the framework of density-functional theory. Huge magnetic moments have been found in the Co...αTM... clusters especially for the Co...αTM... cluster with a giant magnetic moment o...

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Bibliographic Details
Published in:Journal of computational chemistry 2011-08, Vol.32 (11), p.2474
Main Authors: Jing, Qun, Cao, Hai-Bin, Ge, Gui-Xian, Wang, Yuan Xu, Yan, Hong-Xia, Zhang, Zi-Ying, Liu, Yun-Hu
Format: Article
Language:English
Subjects:
Atoms & subatomic particles
Magnetism
Simulation
Online Access:Get full text
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Summary:The core-shell clusters Co...αTM... with TM = Mn, Fe, Co, and Ni are investigated within first-principles simulations in the framework of density-functional theory. Huge magnetic moments have been found in the Co...αTM... clusters especially for the Co...αTM... cluster with a giant magnetic moment of 113 ... The large magnetic moments are mainly due to the special core-shell structure and the weak interaction between the TM and other atoms. (ProQuest: ... denotes formulae/symbols omitted.)
ISSN:0192-8651
1096-987X