First-principles study of the interfacial structures of Au/MgO(001)
文献类型：期刊论文
| 作者 | D. Chen ; X. L. Ma ; Y. M. Wang |
| 刊名 | Physical Review B
 |
| 出版日期 | 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 | |
| 公开日期 | 2012-04-13 |
| 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). |
入库方式： OAI收割
来源：金属研究所
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