Abstract
The Dirac cones in the electronic band structures of graphene cause exotic properties, such as Dirac fermions, but these cones are spin-degenerated. In this study, from first principles, we demonstrate that a honeycomb lattice of modified tri-s-triazine (C7N6) units has spin-polarized Dirac cones in the band structures and exhibits features of spin-gapless semiconductors (SGSs). The hybrid honeycomb lattice of the C7N6 and s-triazine (C3N3) units, however, is a SGS with parabolic energy–momentum dispersion relations near the Fermi level. Ferromagnetic ordering is stable with a Curie temperature (Tc) of 830 and 205K for the two lattices, as revealed by Monte Carlo simulations within an Ising model. The two honeycomb lattices have topologically nontrivial electronic states with a Chern number of C=−1, implying that the quantum anomalous Hall effect (QAHE) states could be achieved in metal-free materials.
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