Structures, stability, magnetic moments and growth strategies of the Fe_nN (n = 1-7) clusters: All-electron density functional theory calculations

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• 作者：Zhi Li^a ; ^{lizhi81723700@163.com} ; Zhen Zhao^b
• 关键词：Magnetic materials ; Density functional theory calculations ; Magnetic moments ; Growth strategies
• 刊名：Materials Chemistry and Physics
• 出版年：2017
• 出版时间：1 February 2017
• 年：2017
• 卷：187
• 期：Complete
• 页码：54-59
• 全文大小：956 K
• 卷排序：187

文摘

The structural stability of the Fe4N and Fe6N clusters is higher. The chemical stability of the Fe3N and Fe7N clusters is higher. Fe5 clusters are easier to adsorb a Fe atom while Fe4 clusters are easier to adsorb a N atom. FenN clusters prefer to adsorb a Fe atom.