Structural and Magnetic Stabilities of Fe Bilayers on Cu(111)

被引：0

作者：

Masuda, Katsuya ^{[1
]}

Nakamura, Kohji ^{[1
]}

Akiyama, Toru ^{[1
]}

Ito, Tomonori ^{[1
]}

机构：

[1] Mie Univ, Dept Engn Phys, 1577 Kurima Machiya, Tsu, Mie 5148507, Japan

来源：

E-JOURNAL OF SURFACE SCIENCE AND NANOTECHNOLOGY | 2014年 / 12卷

基金：

日本学术振兴会;

关键词：

Iron; Magnetic films; Density functional calculations;

D O I：

10.1380/ejssnt.2014.102

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Structural and magnetic stability of Fe bilayer films on Cu(111) substrate was investigated from first-principles calculations, in which two atomic-stackings are considered for the fct-like and bct-like phases of the Fe bilayers. When a ferromagnetic (FM) alignment of the Fe bilayer is assumed, the surface Fe atoms energetically favor the bridge sites (bct-like phase) better than the hollow sites (fct-like phase). On the contrary, for an antiferromagnetic (AFM) alignment, the fct-like phase becomes favorable. The results suggest that the bi-stability of the FM and AFM structures may lead to the coexistence of the fct-like and bct-like phases observed in experiments.

引用

页码：102 / 104

页数：3

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