Structure and magnetism of small Gd and Fe nanoclusters: calculations
β 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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β¦ 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.
π SIMILAR VOLUMES
The electronic structure and magnetic properties of the Fe(001) surface with Al overlayers, vice versa, are studied by means of ab initio band structure calculations using the LSW method. An Fe-Al(001) multilayer system is calculated for comparison. The calculations show that Al reduces the magnetic
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