Structure and magnetism of small Gd and Fe nanoclusters: LDA plus U calculations
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.
- Publisher
- PERGAMON-ELSEVIER SCIENCE LTD
- Issue Date
- 2009-12
- Language
- English
- Article Type
- Article
- Keywords
IRON CLUSTERS; ELECTRONIC-STRUCTURE; AGENTS; METAL; PSEUDOPOTENTIALS; COMPLEXES; SYSTEMS
- Citation
SOLID STATE COMMUNICATIONS, v.149, no.45-46, pp.2058 - 2060
- ISSN
- 0038-1098
- Appears in Collection
- PH-Journal Papers(저널논문)
- Files in This Item
- There are no files associated with this item.
This item is cited by other documents in WoS
| ⊙ Detail Information in WoSⓡ | Click to see |  |
| ⊙ Cited 14 items in WoS | Click to see citing articles in |  |
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.