Comparative investigation on RE(La,Ce)AlO3(100)/γ-Fe(100) interfaces: A first-principles calculation
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- 作者：Jian Yang ; Jihua Huang ; jhhuang62@sina.com" class="auth_mail" title="E-mail the corresponding author ; Dongyu Fan ; Shuhai Chen ; Xingke Zhao
- 关键词：Surfaces ; Interfaces ; Heterogeneous ; Electronic structure
- 刊名：Applied Surface Science
- 出版年：2016
- 出版时间：30 October 2016
- 年：2016
- 卷：384
- 期：Complete
- 页码：207-216
- 全文大小：2463 K
文摘
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Properties of RE(La,Ce)AlO3 (100)/γ-Fe (100) interfaces were studied.
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Possibilities of RE(La,Ce)AlO3 as the heterogeneous nuclei of γ-Fe were investigated.
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RE(La,Ce)AlO3 (100)/γ-Fe (100) interfaces have two terminated structures.
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AlO2-terminated structure has the larger binding strength than REO- terminated one.