• 文献标题:   Tetrapyrroles-decorated graphene nanoribbons: Toward to the half-metal and ferromagnetic semiconductor
  • 文献类型:   Article
  • 作  者:   YAO YS, ASHALLEY E, NIU XB, DAI LP, YU P, CHEN WW, QIN ZJ, ZHANG LZ, WANG ZM
  • 作者关键词:  
  • 出版物名称:   APPLIED PHYSICS LETTERS
  • ISSN:   0003-6951 EI 1077-3118
  • 通讯作者地址:   Univ Elect Sci Technol China
  • 被引频次:   4
  • DOI:   10.1063/1.5054890
  • 出版年:   2019

▎ 摘  要

Realization of the half-metallicity in graphene is of crucial importance in all-carbon organic spintronic nanodevices. Here, using first-principles calculations, we predicted the existence of half-metallicity in porphin-decorated graphene nanoribbons based on the synthesized porphin-decorated graphene [He et al., Nat. Chem. 9, 33-38 (2017)]. The configurations are constructed by coupling porphin molecules to one side of three different graphene nanoribbons: zigzag, sawtooth, and armchair graphene nanoribbons. We found that the porphin-decorated zigzag graphene nanoribbons (ZGNRs) exhibit half-metallicity, where their bandgaps are fixed at similar to 0.3 eV for the gapped spin channel regardless of the variation of the ribbon width. Different from ZGNR, porphin-decorated sawtooth graphene nanoribbons exhibit ferromagnetic semiconducting properties, and for the armchair graphene nanoribbons, porphin modification only influences their bandgaps. Our findings open an avenue to the graphene-based electronic and spintronic devices. Published under license by AIP Publishing.