Energy gap of extended states in SiC-doped graphene nanoribbon: Ab initio calculations

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• 作者：Xiaoshi Liu^a ; ^b ; Yong Wu^a ; ^b ; Zhongyao Li^a ; ^b ; ^{lizyusst@gmail.com} ; Yong Gao^c
• 关键词：Band structure ; Energy gap ; Graphene nanoribbon ; Density-functional theory ; Spin-polarized edge state
• 刊名：Applied Surface Science
• 出版年：2017
• 出版时间：1 April 2017
• 年：2017
• 卷：400
• 期：Complete
• 页码：1-5
• 全文大小：1852 K
• 卷排序：400

文摘

The gap of isolated ribbon is inversely proportional to the width of ribbon. The gap of doped ribbon cannot be modeled by effective width approximation. The fitted energy gap can match the experimental observations. The doping results in a spin-polarized metallic-like band structure.