Antiferromagnetic–ferromagnetic transition in zigzag graphene nanoribbons induced by substitutional doping Project supported by the National Natural Science Foundation of China (Grant Nos. 11474274 and 61427901) and the National Basic Research Program of China (Grant No. 2014CB643902). |
(a) The band structure and (b) the integrated spin density of B-Z6 × 6 with B dopant at site 1 in the AFM configuration. (c) The band structure and (d) the integrated spin density of B-Z6 × 6 with B dopant at site 6 in the FM configuration. The gray, green, and white balls represent C, B, and H atoms, respectively. |