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).
The band structures of (a) pristine Z6 × 6, (b) N-Z6 × 6 with N dopant substituted at site 1, and (c) N-Z6 × 6 with N dopant substituted at site 6 in AFM configurations. The black and red lines correspond to spin-up and spin-down components, respectively. Fermi level is denoted by horizontal blue dotted line. (d) Integrated spin density of N-Z6 × 6 with N doped at site 1 in AFM configuration. The spin density is integrated in the normal direction to the ribbon plane, with red and blue colors representing the up and down spin components, respectively. The band structures of (e) pristine Z6 × 6, (f) N-Z6 × 6 with N dopant substituted at site 1, and (g) N-Z6 × 6 with N dopant substituted at site 6 in FM configurations. (h) Integrated spin density of N-Z6 × 6 with N doped at site 6 in FM configuration.
