Giant magnetic moment of the core-shell Co13@Mn20 clusters: first-principles calculations |
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| Authors: | Jing Qun Cao Hai-Bin Ge Gui-Xian Wang Yuan Xu Yan Hong-Xia Zhang Zi-Ying Liu Yun-Hu |
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| Institution: | Institute for Computational Materials Science, School of Physics and Electronics, Henan University, Kaifeng, People's Republic of China. |
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| 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. |
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| Keywords: | clusters structure magnetic properties core‐shell transition‐metal |
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