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Structure and magnetism of small Gd and Fe nanoclusters: LDA plus U calculations
- Authors
- Kim, G[Kim, Gunn]; Park, Y[Park, Yongjin]; Han, MJ[Han, Myung Joon]; Yu, J[Yu, Jaejun]; Heo, C[Heo, Chaejeong]; Lee, YH[Lee, Young Hee]
- Issue Date
- Dec-2009
- Publisher
- PERGAMON-ELSEVIER SCIENCE LTD
- Citation
- SOLID STATE COMMUNICATIONS, v.149, no.45-46, pp.2058 - 2060
- Indexed
- SCIE
SCOPUS
- Journal Title
- SOLID STATE COMMUNICATIONS
- Volume
- 149
- Number
- 45-46
- Start Page
- 2058
- End Page
- 2060
- ISSN
- 0038-1098
- Abstract
- We investigate the structure and magnetic characteristics of small metal nanoclusters consisting of Gd and/or Fe within the LIDA + 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. (C) 2009 Elsevier Ltd. All rights reserved.
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