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Structure and magnetism of small Gd and Fe nanoclusters: calculations

✍ Scribed by Gunn Kim; Yongjin Park; Myung Joon Han; Jaejun Yu; Chaejeong Heo; Young Hee Lee


Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
891 KB
Volume
149
Category
Article
ISSN
0038-1098

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✦ Synopsis


We investigate the structure and magnetic characteristics of small metal nanoclusters consisting of Gd and/or Fe within the LDA + U density-functional approach. Pure Gd and Fe nanoclusters have larger ferromagnetic moments than their respective bulk counterparts. Among binary Fe-Gd nanoclusters of dimers, trimers, and tetramers, the Fe-rich nanoclusters are energetically favored with relatively small ferromagnetic moments and the Gd-rich nanoclusters prefer antiferrimagnetic spin configurations, where Gd sites are spin up and Fe sites are spin down.


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