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
刊名	Physical Review B
	2007
卷号	75 期号:12
关键词	resolution electron-microscopy transition-metal atoms molecular-dynamics ag/mgo(001) interface mgo(001) surface magnesium-oxide vacancy defects gold particles mgo clusters
ISSN号	1098-0121
中文摘要	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.
原文出处	://WOS:000245330200086
公开日期	2012-04-13
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/33443]
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	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).