First-principles study of the interfacial structures of Au/MgO(001)

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	First-principles study of the interfacial structures of Au/MgO(001)
	D. Chen; X. L. Ma; Y. M. Wang
	2007
Source Publication	Physical Review B
ISSN	1098-0121
Volume	75 Issue:12
Abstract	By using a first-principles method, the theoretical analysis of six probable Au/Mg(001) interface models points out that two of them with oxygen or magnesium vacancies in the interface are most stable. It is found in this work that besides O or Mg vacancies having to exist in this interface, the stability of an interface depends deeply on the atomic configuration of interface. Such a configuration in which each Au atom in the upper Au layer of interface bonds with each O atom in the MgO under layer is theoretically considered to be most stable. Nevertheless, these results need to be confirmed by experiments.
description.department	chinese acad sci, natl lab mat sci, inst met res, shenyang 110016, peoples r china.;ma, xl (reprint author), chinese acad sci, natl lab mat sci, inst met res, shenyang 110016, peoples r china;xlma@imr.ac.cn
Keyword	Resolution Electron-microscopy Transition-metal Atoms Molecular-dynamics Ag/mgo(001) Interface Mgo(001) Surface Magnesium-oxide Vacancy Defects Gold Particles Mgo Clusters
URL	查看原文
WOS ID	WOS:000245330200086
Citation statistics	Cited Times:22[WOS] [WOS Record] [Related Records in WOS]
Document Type	期刊论文
Identifier	http://ir.imr.ac.cn/handle/321006/33443
Collection	中国科学院金属研究所
Recommended Citation GB/T 7714	D. Chen,X. L. Ma,Y. M. Wang. First-principles study of the interfacial structures of Au/MgO(001)[J]. Physical Review B,2007,75(12).
APA	D. Chen,X. L. Ma,&Y. M. Wang.(2007).First-principles study of the interfacial structures of Au/MgO(001).Physical Review B,75(12).
MLA	D. Chen,et al."First-principles study of the interfacial structures of Au/MgO(001)".Physical Review B 75.12(2007).

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