Embedding germanium in graphene: A density functional theory study

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• 作者：Zhuo Xu ; Yangping Li ; ^{liyp@nwpu.edu.cn} ; Tingting Tan ; Zhengtang Liu
• 关键词：Density functional theory ; Defected-graphene ; Substitutional germanium ; Ge-chain ; Electronic and magnetic properties
• 刊名：Applied Surface Science
• 出版年：2017
• 出版时间：31 March 2017
• 年：2017
• 卷：399
• 期：Complete
• 页码：742-750
• 全文大小：5536 K
• 卷排序：399

文摘

Substitutional Ge in graphene is more stable in double vacancy site than in single vacancy site. Metallic and semiconductor behaviors are obtained for Ge-substituted graphene depending on different substitution sites, concentrations, and vacancy types. Tunable electronic and magnetic behaviors are observed in graphene sheet with Ge-chain impurity.