Emergence of d -orbital magnetic Dirac fermions in a Mo S2 monolayer with squared pentagon structure

We find that an atomically thin MoS2 monolayer with squared pentagon structure motifs, distinct from all the conventional MoS2 monolayers, has unique electronic band structures with Dirac cones comprising d orbitals. The squared pentagon MoS2 monolayer is an intrinsic ferromagnet with a high Curie temperature and behaves as a half semimetal, which possesses spin-polarized Dirac fermions around the Fermi level. Moreover, when spin-orbit couplings are included, the magnetic Dirac band is gapped, hosting quantized conductance channels. This work provides insights in achieving two-dimensional topological materials with unique atomistic patterns.