Atomic, electronic, and magnetic structure of the Au(100)/Fe3O4(100) interface: Density functional theory study
文献类型：期刊论文
| 作者 | Y. L. Li ; K. L. Yao ; Q. H. Lu ; Z. L. Liu ; D. Xi ; X. P. Luo ; Q. Ning |
| 刊名 | Physical Review B
 |
| 出版日期 | 2007 |
| 卷号 | 75期号:16 |
| 关键词 | molecular-beam epitaxy surface energies thin-films fe3o4 reconstruction diffraction |
| ISSN号 | 1098-0121 |
| 中文摘要 | The relative stability, the electronic structure, and the magnetic properties of the four models for Au(100)/Fe3O4(100) interface have been studied using density functional theory. From calculations, we find that all the interface energies of the four models are dependent linearly on the O chemical potential. At the same time, we predict the most stable structure of Au(100)/Fe3O4(100) interface. The density of states, the total energies, and the atomic spin magnetic moments of the four interface models are also calculated, which show that the half-metallic properties of bulk Fe3O4 are destroyed in the four models due to the charge transfer between Au layers and the Fe3O4 surface. In addition, from the total energies of the relaxed interface models in three magnetic states corresponding to ferromagnetic, antiferromagnetic, and nonmagnetic, we get the ground states of the four relaxed interface models, respectively. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/33667]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | Y. L. Li,K. L. Yao,Q. H. Lu,et al. Atomic, electronic, and magnetic structure of the Au(100)/Fe3O4(100) interface: Density functional theory study[J]. Physical Review B,2007,75(16). |
| APA | Y. L. Li.,K. L. Yao.,Q. H. Lu.,Z. L. Liu.,D. Xi.,...&Q. Ning.(2007).Atomic, electronic, and magnetic structure of the Au(100)/Fe3O4(100) interface: Density functional theory study.Physical Review B,75(16). |
| MLA | Y. L. Li,et al."Atomic, electronic, and magnetic structure of the Au(100)/Fe3O4(100) interface: Density functional theory study".Physical Review B 75.16(2007). |
入库方式： OAI收割
来源：金属研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。