Structural and Electronic Properties of BaO/MgO(001)-type Interface Studied via Aberration-corrected Transmission Electron Microscopy and First-principles Calculations

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	Structural and Electronic Properties of BaO/MgO(001)-type Interface Studied via Aberration-corrected Transmission Electron Microscopy and First-principles Calculations
	L.; Mi Deng, S. B.; Chen, D.; Wang, Y. M.; Ma, X. L.
	2015
发表期刊	Journal of Materials Science & Technology
ISSN	1005-0302
卷号	31 期号:2 页码:205-209
摘要	The properties of BaO/MgO-type interface in the BaZrO3/MgO(001) heterostructure are studied by aberration-corrected high-resolution transmission electron microscopy combined with first-principles calculations. Experimental evidence demonstrates that cation displacement and vacancies occur at the interface. Our first-principle calculations show that cation displacement results from the electrostatic potential effect at the interface, and cation vacancies could lower the interfacial work of separation and enhance the interfacial stability of BaO/MgO-type interface. The results highlight that the effect of interfacial defects should be taken into account in understanding the film growth kinetics and properties in oxide heteroepitaxy.
部门归属	[deng, lei ; mi, shaobo ; chen, dong ; wang, yuanming ; ma, xiuliang] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. [mi, shaobo] xi an jiao tong univ, icdr, xian 710049, peoples r china. [mi, shaobo] forschungszentrum julich, inst solid state res, d-52425 julich, germany. [mi, shaobo] forschungszentrum julich, ernst ruska ctr microscopy & spect electrons, d-52425 julich, germany. ; mi, sb (reprint author), chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. ; sbmi@imr.ac.cn
关键词	Thin Films Interface Transmission Electron Microscopy First-principles Calculations Thin-films Mgo Deposition Growth Oxygen
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/321006/73782
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	L.,Mi Deng, S. B.,Chen, D.,et al. Structural and Electronic Properties of BaO/MgO(001)-type Interface Studied via Aberration-corrected Transmission Electron Microscopy and First-principles Calculations[J]. Journal of Materials Science & Technology,2015,31(2):205-209.
APA	L.,Mi Deng, S. B.,Chen, D.,Wang, Y. M.,&Ma, X. L..(2015).Structural and Electronic Properties of BaO/MgO(001)-type Interface Studied via Aberration-corrected Transmission Electron Microscopy and First-principles Calculations.Journal of Materials Science & Technology,31(2),205-209.
MLA	L.,et al."Structural and Electronic Properties of BaO/MgO(001)-type Interface Studied via Aberration-corrected Transmission Electron Microscopy and First-principles Calculations".Journal of Materials Science & Technology 31.2(2015):205-209.