Electronic Structure and Magnetism of Fe Monolayer on Ir(001)

被引：2
|
作者：
Kim, Dong-Chul [1 ]
Lee, Jae Il [2 ]
机构：
[1] Halla Univ, Dept Elect & Elect Engn, Wonju 220712, Kangwon Do, South Korea
[2] Inha Univ, Dept Phys, Incheon 402751, South Korea
来源：
JOURNAL OF THE KOREAN MAGNETICS SOCIETY | 2009年 / 19卷 / 05期
关键词：
Fe overlayer; electronic structure; magnetic moment; Ir(001);
D O I：
10.4283/JKMS.2009.19.5.171
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
The magnetism of the Fe monolayer on Ir(001) substrate [Fe/Ir(001)] was investigated by the first-principles energy band method. For comparison, the Fe and Ir ordered-alloyed monolayer on Ir(001) [Fe0.5Ir0.5/Ir(001)] was also considered. The calculated magnetic moments for Fe atoms in Fe/Ir(001) system and Fe0.5Ir0.5/Ir(001) system are 2.95 and 2.83 bohr magnetons, respectively. The detailed aspects of the magnetism and electronic structures for these systems are discussed with the calculated denisty of states and spin densities. The optimized atomic sites for the overlayer Fe and Ir atoms were determined by the total energy and atomic force calculations. The Fe atoms in Fe/Ir(001) move closer to the substrate Ir layer than the Fe atoms in Fe0.5Ir0.5/Ir(001) do to the Ir substrate.
引用
收藏
页码：171 / 175
页数：5
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