Divacancy-induced ferromagnetism in graphene nanoribbons

Article

关键词: EDGE;    DEFECTS;    STATES;   

DOI  :  10.1103/PhysRevB.91.165427

来源: SCIE

【 摘 要 】

Zigzag graphene nanoribbons have spin-polarized edges, antiferromagnetically coupled in the ground state with total spin zero. Customarily, these ribbons are made ferromagnetic by producing an imbalance between the two sublattices. Here we show that zigzag ribbons can be ferromagnetic due to the presence of reconstructed divacancies near one edge. This effect takes place even though the divacancies are produced by removing two atoms from opposite sublattices, which were balanced before reconstruction to 5-8-5 defects. We demonstrate that there is a strong interaction between the defect-localized and edge bands which mix and split away from the Fermi level. This splitting is asymmetric, yielding a net edge spin polarization. Therefore, the formation of reconstructed divacancies close to the edges of the nanoribbons can be a practical way to make them partially ferromagnetic.

【 授权许可】

Free