First-principles study of stability, electronic structure and magnetic properties of Be₂C nanoribbons

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• 作者：Jianmin Zhang ; Chunyan Xu ; Huiling Zheng ; Xiaobo Du ; Yu Yan ; ^{yanyu@jlu.edu.cn}
• 关键词：Be2C nanoribbon ; Electronic structure ; Magnetism ; First-principles
• 刊名：Applied Surface Science
• 出版年：2017
• 出版时间：1 February 2017
• 年：2017
• 卷：394
• 期：Complete
• 页码：315-322
• 全文大小：3145 K
• 卷排序：394

文摘

H passivation at the edge greatly enhances the stability of Be2C nanoribbons. Stable bare Be2C nanoribbons are all nonmagnetic semiconductors. H passivated b-Be2C-NR with C site terminated edge is half-metallic. Ground state of H passivated b-Be2C-NR with C site terminated edge is ferromagnetic.