✦ LIBER ✦
Giant magnetic moment of the core-shell Co13@Mn20 clusters: First-principles calculations
✍ Scribed by Qun Jing; Hai-Bin Cao; Gui-Xian Ge; Yuan Xu Wang; Hong-Xia Yan; Zi-Ying Zhang; Yun-Hu Liu
- Publisher
- John Wiley and Sons
- Year
- 2011
- Tongue
- English
- Weight
- 225 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0192-8651
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✦ Synopsis
Abstract
The core‐shell clusters Co~13~@TM~20~ 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~13~@TM~20~ clusters especially for the Co~13~@Mn~20~ cluster with a giant magnetic moment of 113 μ~B~. The large magnetic moments are mainly due to the special core‐shell structure and the weak interaction between the TM and other atoms. © 2011 Wiley Periodicals, Inc. J Comput Chem, 2011