▎ 摘 要
Defect induced magnetism in a single layer graphene with Boron-vacancy complex is studied using highly precise ab initio full-potential linearized augmented plane wave (FLAPW) method. From energetics, it is most stable when Boron and vacancy are the nearest neighbor. Furthermore, we propose both paramagnetic and magnetic states, with negligible energy difference, can coexist in defected graphene. The k resolved band structure reveals that the magnetism is mainly from different occupation of very localized impurity bands. Moreover, calculated STM image associated with defect is presented to provide some hint in experimental verifications.