Effect of vacancies (O, Ti) on the interfacial bonding strength and magnetoelectricity in Fe/BaTiO3: A first-principles study

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	Effect of vacancies (O, Ti) on the interfacial bonding strength and magnetoelectricity in Fe/BaTiO3: A first-principles study
	L. Deng; D. Chen; Y. L. Zhu; X. L. Ma
	2014
发表期刊	Computational Materials Science
ISSN	0927-0256
卷号	93 页码:6-10
摘要	As the important structure elements, vacancies are believed to be a crucial factor in the composite multiferroics. In the work, first-principles calculations have been performed to study the effect of vacancies (O, Ti) on the structural, magnetoelectric and electronic properties of the Fe/BaTiO3 interface. The vacancy-type defects are introduced in the first interfacial TiO2 layer. It is found that the interfacial vacancies (O, Ti) will increase the bonding strength of the ferromagnetic/ferroelectric system while the magnetoelectric effect can still keep the same order of magnitude as perfect Fe/BaTiO3, which may be helpful for designing multiferroic thin film materials. (C) 2014 Elsevier B.V. All rights reserved.
部门归属	[deng, lei ; chen, dong ; zhu, yinlian ; ma, xiuliang] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. ; chen, d (reprint author), chinese acad sci, inst met res, shenyang natl lab mat sci, 72 wenhua rd, shenyang 110016, peoples r china. ; dchen@imr.ac.cn ; xlma@imr.ac.cn
关键词	Vacancy Interfacial Bonding Strength Magnetoelectric Effect First-principles Calculations Oxide Thin-films Ferroelectric Batio3 Polarization
URL	查看原文
语种	英语
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/73211
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	L. Deng,D. Chen,Y. L. Zhu,et al. Effect of vacancies (O, Ti) on the interfacial bonding strength and magnetoelectricity in Fe/BaTiO3: A first-principles study[J]. Computational Materials Science,2014,93:6-10.
APA	L. Deng,D. Chen,Y. L. Zhu,&X. L. Ma.(2014).Effect of vacancies (O, Ti) on the interfacial bonding strength and magnetoelectricity in Fe/BaTiO3: A first-principles study.Computational Materials Science,93,6-10.
MLA	L. Deng,et al."Effect of vacancies (O, Ti) on the interfacial bonding strength and magnetoelectricity in Fe/BaTiO3: A first-principles study".Computational Materials Science 93(2014):6-10.