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First-principles calculations of lattice-strained core-shell nanocrystals

✍ Scribed by Khoo, K. H.; Arantes, J. T.; Chelikowsky, James R.; Dalpian, G. M.


Book ID
119976875
Publisher
The American Physical Society
Year
2011
Tongue
English
Weight
838 KB
Volume
84
Category
Article
ISSN
1098-0121

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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 gian