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...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.展开更多
基金supported by the National Natural Science Foundation of China(Grant Nos.51474176,51674205,51575452,and 51475378)
文摘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.
基金This work was partially supported by the National Natural Science Foundation of China （No.20903003 and No.21273208）, the Anhui Provincial Natural Science Foundation （No.1408085QB26）, the China Postdoctoral Science Foundation （No.2012M511409）, the Supercomputer Center of Chinese Academy of Sciences, and University of Science and Technology of China and Shanghai Supercomputer Centers.
