First principle study of edge topological defect-modulated electronic and magnetic properties in zigzag graphene nanoribbons

• 来源期刊: 中国物理B（英文版）
• 关键词: graphene nanoribbons topological defect spin edge
• 年，卷（期）: 2017,（10）
• 页码范围: 169-174
• 页数: 6页
• 语种: 英文
• DOI: 10.1088/1674-1056/26/10/103103

摘要

Zigzag graphene nanoribbon (ZGNR) is a promising candidate for next-generation spintronic devices.Development of the field requires potential systems with variable and adjustable electromagnetic properties.Here we show a detailed investigation of ZGNR decorated with edge topological defects (ED-ZGNR) synthesized in laboratory by Ruffieux in 2015 [Pascal Ruffieux,Shiyong Wang,Bo Yang,et al.2015 Nature 531 489].The pristine ED-ZGNR in the ground state is an antiferromagnetic semiconductor,and the acquired band structure is significantly changed compared with that of perfect ZGNR.After doping heteroatoms on the edge,the breaking of degeneration of band structure makes the doped ribbon a half-semi-metal,and nonzero magnetic moments are induced.Our results indicate the tunable electronic and magnetic properties of ZGNR by deriving unique edge state from topological defect,which opens a new route to practical nano devices based on ZGNR.