Interface effect on properties of Fe/BaTiO3/Fe junction

被引：0
|
作者：
Deng, Lei [1 ]
Chen, Dong [1 ]
Zhu, Yinlian [1 ]
Ma, Xiuliang [1 ]
机构：
[1] Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang, Peoples R China
来源：
ADVANCED IN NANOSCIENCE AND TECHNOLOGY | 2012年 / 465卷
关键词：
ferroelectricity; interface structure; multiferroic material; DFT;
D O I：
10.4028/www.scientific.net/AMR.465.244
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
First principle calculations have been performed to study the interface structure effect on physical properties of the Fe/BaTiO3/Fe junction. It is identified that Fe on top of the TiO2-terminated plane with two Fe atoms adsorbed on the two 0 top sites is the most stable interface. The interface structure is found to affect the ferroelectric behavior of BaTiO3 layer. With BaO-terminated interface, BaTiO3 shows larger Ti-O distance compared with TiO2-teminated interface. In addition, there is a sizable difference in magnetic moments on interfacial atoms at the two interfaces.
引用
收藏
页码：244 / 247
页数：4
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